3-nitrotoluene

CAS No. 99-08-1

Formula: C7H7NO2
Basic Info

3-Nitrotoluene or meta-nitrotoluene is a green-yellow liquid. It is used in the manufacture of meta-toluidine.

Formula
C7H7NO2
Molecular Weight
137.136
Exact Mass
137.048
LogP
2.4264
PSA
45.82
Synonyms

Benzene, 1-methyl-3-nitro-

3-NITROTOLUENE FOR SYNTHESIS

3-Nitrotoluene

BENZENE,1-METHYL-3-NITRO-

META NITROTOLUENE

m-Nitrotoluene

3-AMINOACETOPHENONE/3-ACETYLANILINE

1-methyl-3-nitrobenzene

3-NITRO TOLUENE

3-NITROTOLUOL

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Properties
Appearance & Physical State
yellow-green liquid
Density
1.157
Boiling Point
230-231ºC
Melting Point
15-16ºC
Flash Point
101ºC
Refractive Index
1.545-1.547
Water Solubility
insoluble
Stability
Stable. Combustible. Incompatible with reducing agents, strong oxidizing agents, strong bases.
Storage Condition
2-8ºC
Vapor Density
4.73 (vs air)
Vapor Pressure
1 mm Hg ( 50.2 °C)
Safety Info
RTECS
XT2975000
Safety Statements
S28-S37-S45-S61
WGK Germany
2
Risk Statements
R23/24/25; R33; R51/53; R36/37/38
HS Code
29042000
RIDADR
UN 1664
Hazard Class
6.1
Packing Group
II
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 3-nitrotoluene

1.2 Other means of identification

Product number -
Other names 3-Nitrotoluene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity – repeated exposure, Category 2

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

H331 Toxic if inhaled

H373 May cause damage to organs through prolonged or repeated exposure

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.

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

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.

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

P311 Call a POISON CENTER/doctor/…

P314 Get medical advice/attention if you feel unwell.

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
3-nitrotoluene 3-nitrotoluene 99-08-1 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. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap.

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

INHALATION, INGESTION OR SKIN ABSORPTION: Headache, flushing of face, dizziness, difficult breathing, cyanosis, nausea, vomiting, muscular weakness, increased pulse and respiratory rate, irritability and convulsions. EYES: Slight irrita- tion. SKIN: Slight irritation. (USCG, 1999)

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

To fight fire use water, carbon dioxide, dry chemical.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Emits toxic fumes of oxides of nitrogen. Behavior in Fire: Emits toxic fumes. (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

Evacuate danger area! Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Ventilation. Collect leaking liquid in covered containers. 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

Ventilate area of spill or leak. For small quantities of liquid nitrotoluene, absorb on paper towels. For small quantities of solid nitrotoluene, sweep onto paper or other suitable material. Remove to a safe place (such as a fume hood) and burn paper. Large quantities of liquid nitrotoluene can be collected and atomized in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device. Large quantities of solid nitrotoluene can be reclaimed; however, if this is not practical, dissolve in a flammable solvent (such as alcohol) and atomize in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device. /nitrotoluene/

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 strong oxidants, sulfuric acid and food and feedstuffs. Cool. Dry. Keep in a well-ventilated room.Separated from strong oxidants, sulfuric acid, food and feedstuffs. Cool. Dry. Keep in a well-ventilated room.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hour Time-Weighted Average: 2 ppm (11 mg/cu m). Skin designation.

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 yellow-green liquid
Colour Yellow liquid [Note: A solid below 59 degrees F]
Odour Weak, aromatic odor
Melting point/ freezing point 139°C(lit.)
Boiling point or initial boiling point and boiling range 232°C
Flammability Class IIIB Combustible Liquid: Fl.P. at or above 93.33°C.Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 106°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity 2.33 cP at 20°C
Solubility In water:insoluble
Partition coefficient n-octanol/water (log value) log Kow = 2.45
Vapour pressure 1 mm Hg ( 50.2 °C)
Density and/or relative density 1.157
Relative vapour density 4.73 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

/Heat contributes/ ... to instability. /Nitrotoluene/

10.3 Possibility of hazardous reactions

Combustible when exposed to heat, flame or oxidizers.M-NITROTOLUENE reacts with sulfuric acid, strong oxidizing agents and reducing agents.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Decomposes on contact with strong oxidzers; strong acids; reducing agents; strong bases; ammonia, amines producing toxic fumes, causing fire and explosion hazard. Heat above 190°C may cause explosive decomposition. Attacks some plastics, rubbers, and coatings.

10.6 Hazardous decomposition products

The substance decomposes on burning producing toxic gases, including carbon monoxide and nitrogen oxides.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 1231 mg/kg bw
  • Inhalation: LC50 Rat inhalation >2.417 mg/L /1 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 inadequate evidence in humans for the carcinogenicity of nitrotoluenes. There is inadequate evidence in experimental animals for the carcinogenicity of 3-nitrotoluene. ... Overall evaluation: Nitrotoluenes are not classifiable as to their carcinogenicity to humans (Group 3).

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: LC50; Species: Brachydanio rerio (Zebra Danio); Conditions: freshwater, flow through, 23°C, pH 8.15; Concentration: 33100 ug/L for 48 hr /formulation
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water Flea); Conditions: freshwater, static; Concentration: 7400 ug/L for 48 hr; Effect: intoxicaiton, immobilization />99.5% purity formulation
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: 3-Nitrotoluene, present at 100 mg/L, reached 2% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese Ministry of Industry and Trade (MITI) test, which employs a mixed inoculum obtained from freshwater, soil, and sludge(1). Using unacclimated sludge as the inocululm(2) but lower concentrations of 3-nitrotoluene (10 ppm), complete degradation was observed to occur within 14 days. Other evidence supports complete aerobic degradation of 10 mg/L 3-nitrotoluene within 2 weeks when incubated in adapted aerobic composite river sediment and sewage sludges(3). When nitrotoluene-adapted activated sludges were used as an inoculum, however, 3-nitrotoluene (200 mg/L) was almost completely degraded (i.e. 98% removal) within 5 days when incubated at 20°C(4). Using a mixed culture isolated from a contaminated soil (near an ammunition plant), 3-nitrotoluene (at initial concentrations of 5 and 12 mg/L) degraded completely in 4 days in aerobic batch and continuous reactor tests(5).

12.3 Bioaccumulative potential

The BCF for 3-nitrotoluene in fish (Poecilia reticulata) was been experimentally determined to be 16(1). The BCF in carp (Cyprinus carpio) ranged from 0.47 to 12 at test concentrations of 2.5-25 ppb 3-nitrotoluene over a 6-week exposure period(2). According to a classification scheme(2), these BCF values suggest the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 3-nitrotoluene can be estimated to be 363(SRC). According to a classification scheme(2), this estimated Koc value suggests that 3-nitrotoluene is expected to have moderate mobility in soil. Field monitoring at a munition factory site in Melbourne Australia found that 3-nitrotoluene migrated large distances in the subsurface soils(3); 3-nitrotoluene is reported to have low soil Kd sorption coefficients in a variety of soils types(3) indicating it will leach.

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: UN1664 IMDG: UN1664 IATA: UN1664

14.2 UN Proper Shipping Name

ADR/RID: NITROTOLUENES, LIQUID
IMDG: NITROTOLUENES, LIQUID
IATA: NITROTOLUENES, LIQUID

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

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
3-nitrotoluene 3-nitrotoluene 99-08-1 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: 3-Nitrotoluene 99% Material Safety Data Sheet
Synonym: m-Methylnitrobenzene; 1-Methyl-3-nitrobenzene; m-Nitrotoluene
CAS: 99-08-1
Section 1 - Chemical Product   MSDS Name:3-Nitrotoluene 99% Material Safety Data Sheet
Synonym:m-Methylnitrobenzene; 1-Methyl-3-nitrobenzene; m-Nitrotoluene

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
99-08-1 3-Nitrotoluene 99 202-728-6
Hazard Symbols: T
Risk Phrases: 23/24/25 33

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed. Danger of cumulative effects.Toxic.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Effects of contact may be delayed.
Ingestion:
Aspiration hazard. May cause digestive tract disturbances. May be harmful if swallowed.
Inhalation:
May be fatal if inhaled. Aspiration may cause respiratory swelling and pneumonitis. Aspiration may lead to pulmonary edema. Effects of inhalation may be delayed.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Effects may be delayed. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Containers may explode when heated.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Do NOT use straight streams of water. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use water spray, fog or regular 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 99-08-1: United States OSHA: 5 ppm TWA; 30 mg/m3 TWA (Listed under 'Nitrotoluene') France - VME: 2 ppm VME; 11 mg/m3 VME Germany: 5 ppm TWA; 28 mg/m3 TWA Germany: Skin absorber Malaysia: 2 ppm TWA; 11 mg/m3 TWA Netherlands: 1 ppm MAC; 6 mg/m3 MAC Spain: 5 ppm VLA-ED; 29 mg/m3 VLA-ED Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: 1 mm Hg @50.2 C
Viscosity: Not available.
Boiling Point: 230 - 231 deg C
Freezing/Melting Point: 15 - 16 deg C
Autoignition Temperature: 400 deg C ( 752.00 deg F)
Flash Point: 101 deg C ( 213.80 deg F)
Explosion Limits, lower: 1.6%
Explosion Limits, upper: Not available.
Decomposition Temperature: 270 deg C
Solubility in water: insoluble
Specific Gravity/Density: 1.1570g/cm3
Molecular Formula: C7H7NO2
Molecular Weight: 137.14

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 99-08-1: XT2975000 LD50/LC50:
CAS# 99-08-1: Inhalation, mouse: LC50 = 425 mg/m3; Inhalation, rat: LC50 = 693 mg/m3; Oral, mouse: LD50 = 330 mg/kg; Oral, rabbit: LD50 = 1750 mg/kg; Oral, rat: LD50 = 1072 mg/kg.
Carcinogenicity:
3-Nitrotoluene - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: NITROTOLUENES, LIQUID
Hazard Class: 6.1
UN Number: 1664
Packing Group: II
IMO
Shipping Name: NITROTOLUENES, LIQUID
Hazard Class: 6.1
UN Number: 1664
Packing Group: II
RID/ADR
Shipping Name: NITROTOLUENES
Hazard Class: 6.1
UN Number: 1664
Packing group: II
USA RQ: CAS# 99-08-1: 1000 lb final RQ (Listed under Nitrotoluene); 454 kg final

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
R 33 Danger of cumulative effects.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 23 Do not inhale gas/fumes/vapour/spray.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 99-08-1: 2
Canada
CAS# 99-08-1 is listed on Canada's DSL List.
CAS# 99-08-1 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 99-08-1 is listed on the TSCA inventory.


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
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ESR Spectrum ESR : ANION RADICAL, ELECTROLYTIC REDUCTION IN ACETONITRILE
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
Apiezon L
Retention index
1201.
Temperature Control
130.
Method
isothermal
Comments
Celite; Column length: 2.25 m
Reference
Wehrli, A.Kováts, E.Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer VerbindungenHelv. Chim. Acta1959, 7, 7, 2709-2736.
Lee's RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-5MS
Retention index
202.07
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; T<sub>end</sub>: 310. C
Reference
Chen, P.H.Keeran, W.S.Van Ausdale, W.A.Schindler, D.R.Roberts, D.W.Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samplesTechnical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11.

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