benzyl chloride

CAS No. 100-44-7

Formula: C7H7Cl
Basic Info

Benzyl chloride, or α-chlorotoluene, is an organic compound with the formula C6H5CH2Cl. This colourless liquid is a reactive organochlorine compound that is a widely used chemical building block.

Formula
C7H7Cl
Molecular Weight
126.583
Exact Mass
126.024
LogP
2.4254
PSA
0
Synonyms

Benzyl chloride

α-Chlorotoluene

phenylmethyl chloride

Benzene, (chloromethyl)-

(Chloromethyl)benzene

Tolyl chloride

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Properties
Appearance & Physical State
colorless liquid
Density
1.1
Boiling Point
179ºC
Melting Point
-39ºC
Flash Point
67ºC
Refractive Index
1.537-1.539
Water Solubility
0.3 g/L (20 ºC)
Stability
Unstable - inhibitors such as propylene oxide or trimethylamine are usually added to prevent polymerization. Combustible. Incompatible with strong oxidizing agents, water, acids, most common metals, dimethyl sulfoxide. Above flash point vapour-air mixtures
Storage Condition
0-6ºC
Vapor Density
4.36 (vs air)
Vapor Pressure
10.3 mm Hg ( 60 °C)
Safety Info
RTECS
XS8925000
Safety Statements
S45-S53
WGK Germany
3
Risk Statements
R22; R23; R37/38; R41; R45; R48/22
HS Code
2903999090
RIDADR
UN 1738
Hazard Class
6.1
Packing Group
II
Caution Statement
P201; P260; P280; P304 + P340 + P310; P305 + P351 + P338 + P310
Hazard Codes
MSDS
SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name benzyl chloride

1.2 Other means of identification

Product number -
Other names Benzene, (chloromethyl)-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Benzyl chloride is used as a chemical intermediate in the manufacture of certain dyes and pharmaceutical, perfume and flavor products. It is also used as a photographic developer. Benzyl chloride can be used in the manufacture of synthetic tannins and as a gum inhibitor in petrol. Benzyl chloride has been used as an irritant gas in chemical warfare.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity – single exposure, Category 3

Carcinogenicity, Category 1B

Specific target organ toxicity – repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

H331 Toxic if inhaled

H335 May cause respiratory irritation

H350 May cause cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/…

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P311 Call a POISON CENTER/doctor/…

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
benzyl chloride benzyl chloride 100-44-7 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Half-upright position. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Intensely irritating to skin, eyes, and mucous membranes. Highly toxic; may cause death or permanent injury after very short exposure to small quantities. Has been listed as a direct-acting or primary carcinogen. Large doses cause central nervous system depression. (EPA, 1998)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aromatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, dry chemical, foam, or carbon dioxide. Use water to keep fire-exposed containers cool. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products.

5.2 Specific hazards arising from the chemical

It burns but does not ignite readily. It may ignite combustibles. When heated to decomposition, it emits toxic and corrosive fumes. Some organic chlorides decompose to yield phosgene. Incompatible with active metals such as copper, aluminum, magnesium, iron, zinc, and tin and keep from strong oxidizing agents. Avoid contact with acids or acid fumes. Keep separate from oxidizing materials. May become unstable at elevated temperatures and pressures; may react with water resulting in some nonviolent release of energy. Polymerizes with evolution of heat and hydrogen chloride when in contact with all common metals except nickel and lead. (EPA, 1998)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in covered non-metallic containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Environmental considerations: Air spill: Apply water spray or mist to knock down vapors. Vapor knockdown water is corrosive or toxic and should be diked for containment.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from food and feedstuffs and incompatible materials. See Chemical Dangers. Dry. Ventilation along the floor. Store only if stabilized.Separated from food and feedstuffs and incompatible materials . Ventilation along the floor. Store only if stabilized.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 15 Minute Ceiling value: 1 ppm (5 mg/cu m).

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state colorless liquid
Colour Colorless to slightly yellow liquid
Odour Rather unpleasant, irritating odor
Melting point/ freezing point 199°C(dec.)(lit.)
Boiling point or initial boiling point and boiling range 177-181°C(lit.)
Flammability Class IIIA Combustible Liquid: Fl.P. at or above 60°C and below 93.33°C.Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.1% by volume; Upper flammable limit: 7.1% by volume
Flash point 67°C
Auto-ignition temperature 585°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:0.3 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 2.30
Vapour pressure 10.3 mm Hg ( 60 °C)
Density and/or relative density 1.1g/mLat 25°C(lit.)
Relative vapour density 4.36 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stablity during transport: stable

10.3 Possibility of hazardous reactions

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.Halogenated aliphatic compounds, such as BENZYL CHLORIDE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Will react with water or steam to produce toxic and corrosive fumes /HCl and chlorine gas/; can react vigorously with oxidizing materials.

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /hydrogen chloride/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 1500 mg/kg
  • Inhalation: LC50 Mouse inhalation 0.39 mg/L (80 ppm)/2 hr
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

Evaluation: There is limited evidence in humans for the carcinogenicity of alpha-chlorinated toluenes and benzoyl chloride. There is sufficient evidence in experimental animals for the carcinogenicity of benzyl chloride. ... Overall evaluation: Combined exposures to alpha-chlorinated toluenes and benzoyl chloride are probably carcinogenic to humans (Group 2A). /alpha-Chlorinated toluenes & benzoyl chloride/

Reproductive toxicity

No studies were located regarding developmental or reproductive effects in humans from benzyl chloride exposure. (-) One animal study showed an increase in embryonal mortality, along with retarded development of the offspring in rats given benzyl chloride orally.

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50; Species: Pimephales promelas (fathead minnow); Conditions: /static/; Concentration: 11.6 mg/L for 24 hr
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea); Concentration: 4.2 mg/L for 24 hr; Effect: immobility /Conditions of bioassay not specified; from table
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Benzyl chloride, present at 100 mg/L, reached 70.9% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1). Benzyl chloride biodegraded readily with the formation of dechlorinated products during a 2-day incubation period using raw sewage and raw sewage acclimated to non-chlorinated compounds(2). However, since benzyl chloride is subject to hydrolysis(3-5), it is probably the biodegradation of benzyl alcohol that is measured in these studies(SRC).

12.3 Bioaccumulative potential

An estimated BCF of 20 was calculated in fish for benzyl chloride(SRC), using a log Kow of 2.30(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of benzyl chloride is estimated as 100(SRC), using a log Kow of 2.30(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzyl chloride is expected to have high mobility in soil.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1738 IMDG: UN1738 IATA: UN1738

14.2 UN Proper Shipping Name

ADR/RID: BENZYL CHLORIDE
IMDG: BENZYL CHLORIDE
IATA: BENZYL CHLORIDE

14.3 Transport hazard class(es)

ADR/RID: 8 IMDG: 8 IATA: 8

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
benzyl chloride benzyl chloride 100-44-7 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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Name: Benzyl-d7 chloride 99+ atom % D Material Safety Data Sheet
Synonym: Chloromethylbenzene; alpha-Chlorotoluene; Chlorophenylmethane; Benzyl chloride
CAS: 100-44-7
Section 1 - Chemical Product   MSDS Name:Benzyl-d7 chloride 99+ atom % D Material Safety Data Sheet
Synonym:Chloromethylbenzene; alpha-Chlorotoluene; Chlorophenylmethane; Benzyl chloride

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
100-44-7 Benzyl-d7-chloride 100 261-790-2
Hazard Symbols: T
Risk Phrases: 22 23 37/38 41 45 48/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Toxic by inhalation. Irritating to respiratory system and skin. Risk of serious damage to eyes. May cause cancer.
Harmful : danger of serious damage to health by prolonged exposure if swallowed.Moisture sensitive.Cancer suspect agent.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears). May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause severe irritation of the digestive tract.
Inhalation:
May be fatal if inhaled. Causes respiratory tract irritation.
Chronic:
Potential cancer hazard.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
POISON material. If inhaled, get medical aid immediately. Remove victim to fresh air. If not breathing, give artificial respiration.
If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Use water spray to keep fire-exposed containers cool. May accumulate static electrical charges, and may cause ignition of its own vapors. Fire or excessive heat may result in violent rupture of the container due to bulk polymerization.
Combustible liquid and vapor. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products. Vapors are heavier than air and may travel to a source of ignition and flash back. Vapors can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.
Approach spill from upwind.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Ground and bond containers when transferring material. Do not get in eyes, on skin, or on clothing.
Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Use only with adequate ventilation. Keep away from heat and flame. Do not breathe vapor or mist. Keep dry and use promptly.
Handle only in corrosion resistant equipment avoiding iron, aluminum, and brass.
Storage:
Keep away from sources of ignition. Store in a cool, dry, well-ventilated area away from incompatible substances. Storage for long periods is not recommended. Store protected from moisture. Vent periodically. Keep away from oxidizing agents.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 100-44-7: United Kingdom, WEL - TWA: 0.5 ppm TWA; 2.6 mg/m3 TWA United Kingdom, WEL - STEL: 1.5 ppm STEL; 7.9 mg/m3 STEL United States OSHA: 1 ppm TWA; 5 mg/m3 TWA Belgium - TWA: 1 ppm VLE; 5.3 mg/m3 VLE France - VME: 1 ppm VME; 5 mg/m3 VME France - VLE: 2 ppm VLE; 11 mg/m3 VLE Germany: 0.2 mg/m3 TWA Malaysia: 1 ppm TWA; 5.2 mg/m3 TWA Netherlands: 1 ppm MAC; 5 mg/m3 MAC Russia: 0.5 mg/m3 TWA Spain: 1 ppm VLA-ED; 5.3 mg/m3 VLA-ED CAS# 59502-05-5: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear, colorless
Odor: pungent odor - unpleasant odor
pH: Not available.
Vapor Pressure: 1.3 mm Hg @ 25 deg C
Viscosity: 1.27 cps @ 20 deg C
Boiling Point: 179 deg C @ 760 mm Hg
Freezing/Melting Point: -43 deg C
Autoignition Temperature: 627 deg C ( 1,160.60 deg F)
Flash Point: 67 deg C ( 152.60 deg F)
Explosion Limits, lower: 1.3 %
Explosion Limits, upper: 7.1 %
Decomposition Temperature:
Solubility in water: Hydrolyzes slowly
Specific Gravity/Density: 1.2000 g/cm3
Molecular Formula: C7D7Cl
Molecular Weight: 133.64

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Unstabilized benzyl chloride undergoes a self-condensation reaction in the presence of all common metals (except nickel and lead) with the liberation of heat and hydrogen chloride. Decomposition and polymerization reactions are inhibited to a limited extent by addition of triethylamine, propylene oxide, or sodium carbonate.
Inhibition decreases during storage. Do not store for extended period of time.
Conditions to Avoid:
Light, ignition sources, moisture, excess heat, excessive aging.
Incompatibilities with Other Materials:
Metals, strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: May occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 100-44-7: XS8925000 CAS# 59502-05-5 unlisted.
LD50/LC50:
CAS# 100-44-7: Inhalation, mouse: LC50 = 80 ppm/2H; Inhalation, mouse: LC50 = 390 mg/m3/2H; Inhalation, rat: LC50 = 150 ppm/2H; Inhalation, rat: LC50 = 740 mg/m3/2H; Oral, mouse: LD50 = 1500 mg/kg; Oral, rat: LD50 = 1231 mg/kg.
CAS# 59502-05-5.
Carcinogenicity:
Benzyl chloride - ACGIH: A3 - Confirmed animal carcinogen with unknown relevance to California: carcinogen, initial date 1/1/90 IARC: Group 2A carcinogen Benzyl-d7-chloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Fathead Minnow: 34.7 ppm; 96 hr; LC50Water flea Daphnia: 6.1 ppm; 48 hr; LC50

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: BENZYL CHLORIDE
Hazard Class: 6.1 (8)
UN Number: 1738
Packing Group: II
IMO
Shipping Name: BENZYL CHLORIDE
Hazard Class: 6.1 (8)
UN Number: 1738
Packing Group: II
RID/ADR
Shipping Name: BENZYL CHLORIDE
Hazard Class: 6.1
UN Number: 1738
Packing group: II
USA RQ: CAS# 100-44-7: 100 lb final RQ; 45.4 kg final RQ

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 45 May cause cancer.
R 22 Harmful if swallowed.
R 23 Toxic by inhalation.
R 37/38 Irritating to respiratory system and skin.
R 41 Risk of serious damage to eyes.
R 48/22 Harmful : danger of serious damage to health
by prolonged exposure if swallowed.
Safety Phrases:
S 53 Avoid exposure - obtain special instructions
before use.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 100-44-7: 3
CAS# 59502-05-5: No information available.
Canada
CAS# 100-44-7 is listed on Canada's DSL List.
CAS# 100-44-7 is listed on Canada's Ingredient Disclosure List.
CAS# 59502-05-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 100-44-7 is listed on the TSCA inventory.
CAS# 59502-05-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : CCl4 solution
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Mass Spectrum Mass spectrum (electron ionization)
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Raman Spectrum Raman : 4880 A,200 M,liquid
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ESR Spectrum ESR : REACTION WITH NA AT 77K
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UV Spectrum UV/Visible spectrum
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
1015.
Temperature Control
150.
Method
isothermal
Comments
Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
Reference
Tiess, D.Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe1984, 33, 6-9.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
977.9
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He, 3. K/min; T<sub>start</sub>: 40. C; T<sub>end</sub>: 325. C
Reference
Sun, G.Stremple, P.Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1023.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/1. μm, He, 2.5 K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 200. C
Reference
Dallüge, J.van Stee, L.L.P.Xu, X.Williams, J.Beens, J.Vreuls, R.J.J.Brinkman, U.A.Th.Unravelling the composition of very complex samples by comprehensive gas chromatography coupled to time-of-flight mass spectrometry. Cigarette smokeJ. Chromatogr. A2002, 974, 1-2, 169-184.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-1
Retention index
985.6
Temperature Control
Method
temperature ramp
Comments
8. K/min; T<sub>start</sub>: 35. C; T<sub>end</sub>: 300. C
Reference
Gautzsch, R.Zinn, P.Use of incremental models to estimate the retention indexes of aromatic compoundsChromatographia1996, 43, 3/4, 163-176.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
1002.
Temperature Control
Method
temperature ramp
Comments
30. m/0.32 mm/0.25 μm, N2, 60. C @ 2. min, 8. K/min; T<sub>end</sub>: 200. C
Reference
Gandhe, B.R.Malhotra, R.C.Gutch, P.K.Gas chromatographic retention indices of tear gases on capillary columnsJ. Chromatogr.1989, 479, 165-169.
Toxicity
OTHER MULTIPLE DOSE TOXICITY DATA
expand collapse
Type of Test
TDLo - Lowest published toxic dose
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
4836 mg/kg/26W-I
Toxic Effects
Cardiac--other changes<br>Gastrointestinal--necrotic changes<br>Related to Chronic Data--death
Reference
JNCI, Journal of the National Cancer Institute. (Washington, DC) V.61-79, 1978-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 76,1231,1986
OTHER MULTIPLE DOSE TOXICITY DATA
expand collapse
Type of Test
TDLo - Lowest published toxic dose
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
7800 mg/kg/26W-I
Toxic Effects
Liver--other changes
Reference
JNCI, Journal of the National Cancer Institute. (Washington, DC) V.61-79, 1978-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 76,1231,1986
OTHER MULTIPLE DOSE TOXICITY DATA
expand collapse
Type of Test
TCLo - Lowest published toxic concentration
Exposure Route
Inhalation
Species Observed
Rodent - mouse
Dose/Duration
46 ppm/6H/14D-I
Toxic Effects
Sense Organs and Special Senses (Olfaction)--effect, not otherwise specified
Reference
JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 15,207,1995

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