Chloroacetyl chloride

CAS No. 79-04-9

Formula: C2H2Cl2O
Basic Info

Chloroacetyl chloride is a chlorinated acyl chloride. It is a bifunctional compound, making it a useful building block chemical.

Formula
C2H2Cl2O
Molecular Weight
112.943
Exact Mass
111.948
LogP
0.9906
PSA
17.07
Synonyms

CHLORACETYL CHLORIDE

CHLOROACETYL CHLORIDE FOR PHARMA SYNTHESIS

CHLORO ACETYL CHLORIDE

CHLORACETYLCHLORID

CHLOROACETIC CHLORIDE

Acetyl chloride, chloro-

2-chloroacetyl chloride

CHLORO ACETYL CHLORIDE (CAC)

CHLORACETYLCHLORIDE

ACETYL CHLORIDE,2-CHLORO-

Chloroacetylchloride

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Properties
Appearance & Physical State
Clear liquid
Density
1.42
Boiling Point
105ºC
Melting Point
-22ºC
Freezing Point
-22.5℃
Flash Point
> 100ºC
Refractive Index
1.452-1.454
Water Solubility
reacts
Stability
Stable. Incompatible with strong bases, alcohols, strong oxidizing agents. May react violently on exposure to water or moisture.
Storage Condition
Store at RT.
Vapor Density
3.9 (vs air)
Vapor Pressure
60 mm Hg ( 41.5 °C)
Safety Info
RTECS
AO6475000
Safety Statements
S26-S36/37/39-S45-S61-S7/8-S9
WGK Germany
3
Risk Statements
R14; R23/24/25; R35; R48/23; R50
HS Code
2915900090
RIDADR
UN 1752
Hazard Class
6.1
Packing Group
I
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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Chloroacetyl chloride

1.2 Other means of identification

Product number -
Other names CHLOROACETYL CHLORIDE FOR PHARMA SYNTHESIS

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates,Ion exchange agents
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 3

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1A

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity – repeated exposure, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H314 Causes severe skin burns and eye damage

H331 Toxic if inhaled

H400 Very toxic to aquatic life

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.

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

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

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

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

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

P330 Rinse mouth.

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

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

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/…

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

P311 Call a POISON CENTER/doctor/…

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P405 Store locked up.

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

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
Chloroacetyl chloride Chloroacetyl chloride 79-04-9 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. Artificial respiration may be needed. 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. Do NOT induce vomiting. Give nothing to drink. Refer for medical attention . See Notes.

4.2 Most important symptoms/effects, acute and delayed

Inhalation causes severe irritation of upper respiratory system. External contact causes severe irritation of eyes and skin. Ingestion causes severe irritation of mouth and stomach. (USCG, 1999)

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

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Chlorine and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Do not use water on adjacent fires.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Heat of fire can cause decomposition, with evolution of highly toxic and irritating hydrogen chloride and phosgene vapors. Behavior in Fire: Highly irritating (tear gas) vapors released when heated. Hydrogen chloride gas is released if in contact with water. (USCG, 1999)

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

Cover the spilled material with dry sand. Collect leaking and spilled liquid in sealable containers as far as possible. Then store and dispose of according to local regulations. NEVER direct water jet on liquid. Personal protection: complete protective clothing including self-contained breathing apparatus.

6.3 Methods and materials for containment and cleaning up

Approach release from upwind. Keep water away from release. Stop or control the leak, if this can be done without undue risk. Prompt cleanup and removal is necessary. Control runoff and isolate discharged material for proper disposal.

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. See Chemical Dangers. Dry. Keep in a well-ventilated room.Store in a cool, dry, well-ventilated location. Separate from combustibles, alkalies, alcohols.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted avg: 0.05 ppm (0.2 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 Clear liquid
Colour Colorless liquid
Odour Sharp, pungent, irritating
Melting point/ freezing point 262°C(lit.)
Boiling point or initial boiling point and boiling range 105°C
Flammability Noncombustible LiquidNot combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 42°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:reacts
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 60 mm Hg ( 41.5 °C)
Density and/or relative density 1.42
Relative vapour density 3.9 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Not combustible, but if involved in a fire decomposes to produce hydrogen chloride.The vapour is heavier than air.CHLOROACETYL CHLORIDE reacts rapidly with water. Incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Reacts with water to produce hydrochloric and monochloroacetic acids. Reacts with alkalies and alcohols.

10.6 Hazardous decomposition products

Not combustible, but if involved in a fire decomposes to produce hydrogen chloride.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 208 mg/kg
  • Inhalation: LC50 Rat inhalation 1000 ppm/4 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

no data available

Reproductive toxicity

no data available

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: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated for chloroacetyl chloride(SRC), using an estimated log Kow of -0.22(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. Chloroacetyl chloride reacts rapidly with water forming chloroacetic acid and HCl(4). As a result, bioconcentration is not expected to be an important fate process(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc for chloroacetyl chloride can be estimated to be 4(SRC). According to a classification scheme(2), this estimated Koc value suggests that chloroacetyl chloride is expected to have very high mobility in soil. However, chloroacetyl chloride reacts rapidly with water forming chloroacetic acid and HCl(3). As a result, adsorption to soil and leaching are not expected to be important fate processes(SRC).

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: UN1752 IMDG: UN1752 IATA: UN1752

14.2 UN Proper Shipping Name

ADR/RID: CHLOROACETYL CHLORIDE
IMDG: CHLOROACETYL CHLORIDE
IATA: CHLOROACETYL CHLORIDE

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

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
Chloroacetyl chloride Chloroacetyl chloride 79-04-9 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 Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 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: Chloroacetyl chloride 98% Material Safety Data Sheet
Synonym: Chloracetyl chloride; Chloroacetic acid chloride
CAS: 79-04-9
Section 1 - Chemical Product   MSDS Name:Chloroacetyl chloride 98% Material Safety Data Sheet
Synonym:Chloracetyl chloride; Chloroacetic acid chloride

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
79-04-9 Chloroacetyl chloride 98 201-171-6
Hazard Symbols: T C N
Risk Phrases: 14 23/24/25 35 50 48/23

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Reacts violently with water. Toxic by inhalation, in contact with skin and if swallowed. Causes severe burns. Very toxic to aquatic organisms. Toxic : danger of serious damage to health by prolonged exposure through inhalation.Corrosive.Moisture sensitive.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Lachrymator (substance which increases the flow of tears). Causes eye irritation and burns.
Skin:
Harmful if absorbed through the skin. Causes severe skin irritation and burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes severe irritation of upper respiratory tract with coughing, burns, breathing difficulty, and possible coma.
May cause abdominal pain, nausea, vomiting, and inflammation of the gums and mouth. Inhalation of high concentrations may cause pulmonary edema.
Chronic:
Prolonged or repeated exposure may cause lung irritation, chest pain, and pulmonary edema.

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:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
Use water spray to keep fire-exposed containers cool. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products. Not combustible, but if involved in a fire, decomposes to produce hydrogen chloride.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use extinguishing media most appropriate for the surrounding fire.

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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Do not expose spill to water. Approach spill from upwind.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Wash clothing before reuse.
Discard contaminated shoes. Keep away from strong bases and metals.
Use only with adequate ventilation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Do not store in metal containers. Do not store near alkaline substances. Store protected from moisture. Separate from alcohols.

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# 79-04-9: Belgium - TWA: 0.05 ppm VLE; 0.23 mg/m3 VLE Belgium - STEL: 0.15 ppm VLE; 0.70 mg/m3 VLE France - VME: 0.05 ppm VME; 0.2 mg/m3 VME Germany: 0.2 mg/m3 TWA Germany: Skin absorber Malaysia: 0.05 ppm TWA; 0.23 mg/m3 TWA Netherlands: 0.05 ppm MAC; 0.2 mg/m3 MAC Russia: 0.3 mg/m3 TWA Spain: 0.05 ppm VLA-ED; 0.23 mg/m3 VLA-ED Spain: 0.15 ppm VLA-EC; 0.7 mg/m3 VLA-EC 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: colorless to light yellow
Odor: Pungent odor.
pH: Not available.
Vapor Pressure: 25.17 mm Hg @25 deg C
Viscosity: Not available.
Boiling Point: 105 deg C @ 760 mm Hg
Freezing/Melting Point: -22 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: reacts to form chloroacetic acid and HCl
Specific Gravity/Density: 1.4200 g/cm3
Molecular Formula: C2H2Cl2O
Molecular Weight: 112.94

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable. However, may decompose if exposed to moist air or water.
Conditions to Avoid:
Contact with water, exposure to moist air or water.
Incompatibilities with Other Materials:
Water, alcohols, strong bases, strong oxidizing agents, amines.
Hazardous Decomposition Products:
Hydrogen chloride, phosgene, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 79-04-9: AO6475000 LD50/LC50:
CAS# 79-04-9: Inhalation, mouse: LC50 = 1300 ppm/2H; Inhalation, rat: LC50 = 660 ppm/1H; Oral, mouse: LD50 = 220 mg/kg; Oral, rat: LD50 = 208 mg/kg; Skin, rat: LD50 = 662 mg/kg.
Carcinogenicity:
Chloroacetyl chloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: CHLOROACETYL CHLORIDE
Hazard Class: 6.1 (8)
UN Number: 1752
Packing Group: I
IMO
Shipping Name: CHLOROACETYL CHLORIDE
Hazard Class: 6.1
UN Number: 1752
Packing Group: I
RID/ADR
Shipping Name: CHLOROACETYL CHLORIDE
Hazard Class: 6.1 (8)
UN Number: 1752
Packing group: I

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T C N
Risk Phrases:
R 14 Reacts violently with water.
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
R 35 Causes severe burns.
R 48/23 Toxic : danger of serious damage to health
by prolonged exposure through inhalation.
R 50 Very toxic to aquatic organisms.
Safety Phrases:
S 7/8 Keep container tightly closed and dry.
S 9 Keep container in a well-ventilated place.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
S 61 Avoid release to the environment. Refer to
special instructions/safety data sheets.
WGK (Water Danger/Protection)
CAS# 79-04-9: 2
Canada
CAS# 79-04-9 is listed on Canada's DSL List.
CAS# 79-04-9 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 79-04-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum 1H NMR : parameter 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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Analysis Methods
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
622.
Temperature Control
Method
temperature ramp
Comments
25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 250. C
Reference
Zenkevich, I.G.Experimentally measured retention indices.2005.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
Polydimethyl siloxanes
Retention index
622.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Zenkevich, I.G.Encyclopedia of Chromatography. Derivatization of Amines, Amino Acids, Amides and Imides for GC AnalysisMarcel Dekker, Inc, New York - Basel, 2001, 224.

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