118-96-7 structure, C7H5N3O6

2,4,6-trinitrotoluene

CAS No.

118-96-7

Formula:

C7H5N3O6

Basic Info

Trinitrotoluene (TNT), or more specifically 2,4,6-trinitrotoluene, is a chemical compound with the formula C6H2(NO2)3CH3. This yellow-colored solid is sometimes used as a reagent in chemical synthesis, but it is best known as an explosive material with convenient handling properties. The explosive yield of TNT is considered to be the standard measure of bombs and other explosives. In chemistry, TNT is used to generate charge transfer salts.
While the two words are sometimes used interchangeably in common conversation, TNT is not the same as dynamite, a special formatting of nitroglycerin for use as an industrial explosive.

Formula
C7H5N3O6
Molecular Weight
227.131
Exact Mass
227.018
LogP
3.2892
PSA
137.46
Synonyms

1-methyl-2,4,6-trinitrobenzene

Tolite

s-Trinitrotoluene

Trinitrotoluene

Benzene, 2-methyl-1,3,5-trinitro-

Trotyl

trinitrotoluol

Tritol

TNT

s-Trinitrotoluol

2,4,6-TRINITROTOLUENE

sym-Trinitrotoluol

trilit

2-methyl-1,3,5-trinitrobenzene

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Properties

Appearance & Physical State
yellow crystals
Density
1.654
Boiling Point
240ºC
Melting Point
80.9ºC
Flash Point
167.1ºC
Refractive Index
1.655
Stability
Stability Unstable. Risk of explosion if heated or struck. Reacts violently - potentially explosively - with reducing agents. Reacts with heavy metals.
Storage Condition
2-8ºC
Vapor Pressure
1.49E-06mmHg at 25°C

Safety Info

Safety Statements
35-45-61-36/37-26
Risk Statements
R2
HS Code
2904204000
RIDADR
0209
Hazard Class
1.1

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 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4,6-trinitrotoluene

1.2 Other means of identification

Product number -
Other names 1-methyl-2,4,6-trinitrobenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. CBI,Laboratory chemicals,Propellants and blowing 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

Explosives, Division 1.1

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity – repeated exposure, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H201 Explosive; mass explosion hazard

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

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P230 Keep wetted with …

P234 Keep only in original packaging.

P240 Ground and bond container and receiving equipment.

P250 Do not subject to grinding/shock/friction/….

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

P264 Wash ... thoroughly after handling.

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

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.

P273 Avoid release to the environment.

Response

P370+P372+P380+P373 In case of fire: Explosion risk. Evacuate area. DO NOT fight fire when fire reaches explosives.

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.

P391 Collect spillage.

Storage

P401 Store in accordance with…

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
2,4,6-trinitrotoluene 2,4,6-trinitrotoluene 118-96-7 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. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention . Wear protective gloves when administering first aid.

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. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Wear protective gloves when inducing vomiting.

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound may include headache, weakness, anemia, toxic hepatitis, cyanosis, dermatitis, jaundice, purpura, liver injury, conjunctivitis, irritation of the respiratory tract, constriction in the chest, lack of appetite, nausea, vomiting, diarrhea, petechial hemorrhages in the skin, oliguria, albuminuria, casts in urine, papular dermatitis, and yellow-orange discoloration of the hands, nails, face and hair. ACUTE/CHRONIC HAZARDS: This compound can be absorbed through the skin. The vapors are toxic. When heated to decomposition it emits toxic fumes. It will detonate under strong shock or sudden heating.

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

Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). 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 ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) 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. Administer activated charcoal ... . /Aromatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

If material on fire or involved in fire: Dangerously explosive. Flood with water. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. /Trinitrotoluene, wetted or TNT, wetted with not less than 30% water, by mass/

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available. It is explosive.

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! Wet spilled material before picking it up, do not attempt to sweep up dry material. Do NOT wash away into sewer. Carefully collect remainder. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment. Personal protection: chemical protection suit including self-contained breathing apparatus.

6.3 Methods and materials for containment and cleaning up

Physical treatments, such as sorption by activated carbon or ion exchange resins or coagulation and filtration, are effective in removing TNT and other related cmpd present in munitions mfg wastewater.

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

Fireproof. Separated from initiator explosives, food and feedstuffs and incompatible materials. See Chemical Dangers. Well closed. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.Fireproof. Separated from initiator explosives, food and feedstuffs, incompatible materials. See Chemical Dangers. Well closed.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 0.5 mg/cu m, skin.

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 crystals
Colour Monoclinic rhombohedra from alc; commercial crystals (needles) are yellow
Odour Odorless
Melting point/ freezing point 80.9ºC
Boiling point or initial boiling point and boiling range 240ºC
Flammability Combustible Solid (Class A Explosive)Many reactions may cause fire or explosion.
Lower and upper explosion limit / flammability limit no data available
Flash point 167.1ºC
Auto-ignition temperature no data available
Decomposition temperature 240°C
pH no data available
Kinematic viscosity no data available
Solubility Insoluble
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 1.49E-06mmHg at 25°C
Density and/or relative density 1.654
Relative vapour density 7.85 (Air = 1)
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

Explosive. Many reactions may cause fire or explosion.TRINITROTOLUENE-TRINITROBENZENE MIXTURE is sensitive to heat and shock. This compound reacts with reducing agents. It will detonate if vigorously shocked or heated to 232.22°C.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

TNT and potassium hydroxide in methanol will interact even at -65°C to give explosive acid-nitro salts (presumably o-quinonoid, or possibly Meisenheimer complexes). The explosion temperature is lowered to 160°C by the presence of a little potassium hydroxide.

10.6 Hazardous decomposition products

Heat of decomposition was determined as 5.1 kJ/g.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 660 mg/kg.
  • Inhalation: no data available
  • 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

CLASSIFICATION: C; possible human carcinogen. BASIS FOR CLASSIFICATION: Evidence of human carcinogenicity is inadequate. Urinary bladder papilloma and carcinoma were observed in female Fischer 344 rats. Mutagenic activity was observed in Salmonella with and without metabolic activation. HUMAN CARCINOGENICITY DATA: None. ANIMAL CARCINOGENICITY DATA: Limited.

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 Lepomis macrochirus (bluegill sunfish) is 2.7 mg/l with a mean weight of 0.39 g in a 96 hr at 10°C /Static Bioassay
  • Toxicity to daphnia and other aquatic invertebrates: LC50 Daphnia magna >4.4 mg/l/48 hr at 20°C /Flow through Bioassay
  • Toxicity to algae: EC50; Species: Pseudokirchneriella subcapitata (Green algae); Conditions: freshwater; static; Concentration: 2.5 uM (95% confidence limit: 2.1 to 2.9 uM) for 96 hr; Effect: population, abundance /formulated product
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Mixed cultures of phenol-adapted microorganisms exhibited a slow but significantly higher rate of oxygen uptake in the presence of 2,4,6-trinitrotoluene at concn of 100 mg/L as compared to endogenous respiration, suggesting that 2,4,6-trinitrotoluene is oxidized(1). A treatability study employing static tube runs indicated that 2,4,6-trinitrotoluene can be oxidized at slow rates from 2,4,6-trinitrotoluene waste diluted with the domestic waste of an Army Ammunition plant; however, the rate of bioadsorption or bioprecipitation was greater than the oxidation rate(2). Activated sludge acclimated to 2,4,6-trinitrotoluene waste for 10 days was used as inoculum for five differing continuous flow runs with 2,4,6-trinitrotoluene concn at 5 mg intervals between 5 and 25 mg/L(2). Fifteen treatability runs of three differing detention times for each concn maintained a 65% average removal efficiency and generally the removal efficiencies tended to decrease with a decrease in detention time and increase in 2,4,6-trinitrotoluene concn(2). A portion of the 2,4,6-trinitrotoluene loss was due to bioadsorption on the activated sludge microorganisms and not due to molecular transformation(3). Composting studies have shown that thermophilic microorganisms produce the same reduction products as mesophilic microbes, no ring cleavage occurs and a large percentage of C14 labeled 2,4,6-trinitrotoluene is bound to the humus fraction(4-6). BOD tests on pure 2,4,6-trinitrotoluene and 2,4,6-trinitrotoluene waste water from the counter current-continuous flow TNT manufacturing process revealed that 2,4,6-trinitrotoluene was oxidized at slow rates(7-8). Attempts to relate BOD to the 2,4,6-trinitrotoluene removed were unsuccessful. It is likely that higher 2,4,6-trinitrotoluene concentrations are toxic to certain oxidizing microorganisms, which may prevent microbial metabolism of 2,4,6-trinitrotoluene(3). Raw sewage was found to be ineffective in degrading 2,4,6-trinitrotoluene, however a sewage sludge digester supernatant liquor caused a 64% reduction in 2,4,6-trinitrotoluene within 6 days(9).

12.3 Bioaccumulative potential

An estimated BCF of 3.4 was calculated in fish for 2,4,6-trinitrotoluene(SRC), using a log Kow of 1.60(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

Kp values for 2,4,6-trinitrotoluene sorption on 4 aquatic sediments measured 5.5, 14.3, 16.5 and 22.2 after 24-hr equilibration time, suggesting that the sorption of 2,4,6-trinitrotoluene is low(1). However most of the material absorbed is strongly bound and desorption from sediment is slow(1). Furthermore sorption of 2,4,6-trinitrotoluene increases with increases in pH and temperature(1). Transformation products of 2,4,6-trinitrotoluene may absorb to sediments with the same intensity as 2,4,6-trinitrotoluene(1). Kp values of 5 sediments averaged 53 with a range between 35 and 84(2). According to a classification scheme(3), the corresponding Koc values, which range between 1,100 and 1,900 and average 1,600(2), suggest that 2,4,6-trinitrotoluene is expected to have low mobility in soil. A Kd value of 3.3 L/kg was given for soil from Nebraska Ordinance Plant(4). An average Kd value of 4.0 was determined in 14 different soils(5). Mobility of 2,4,6-trinitrotoluene was enhanced with strong hydrated(Na+, Ca+) or diminished with weakly hydrated (K+) cations(6). 2,4,6-Trinitrotoluenes affinity for phyllosilicates (Kl = 0.496 L/umol) may displace other nitroaromatic compounds effecting its transport through the soil(7). Sorption coefficients for 2,4,6-trinitrotoluene were given in topsoil samples as 6.38 L/kg and in illite as 223.63 L/kg(8). Desorption coefficients for 2,4,6-trinitrotoluene were given for topsoil as 12.01 L/kg and 265.98 L/kg in illite(8). Soil (pH 6.5, 5.3% clay, 1.7% organic matter) containing 11 mg/kg dry soil weight of 2,4,6-trinitrobenzene gave a Kd of 2.9 L/kg and average diffusion rate of 1.18X10-6 cu cm/sec, indicating slow transportation of 2,4,6-trinitrotoluene through the soil(9).

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: UN0209 IMDG: UN0209 IATA: UN0209

14.2 UN Proper Shipping Name

ADR/RID: TRINITROTOLUENE (TNT), dry or wetted with less than 30% water, by mass†
IMDG: TRINITROTOLUENE (TNT), dry or wetted with less than 30% water, by mass†
IATA: TRINITROTOLUENE (TNT), dry or wetted with less than 30% water, by mass†

14.3 Transport hazard class(es)

ADR/RID: 1.1 IMDG: 1.1 IATA: 1.1

14.4 Packing group, if applicable

ADR/RID: unknown IMDG: unknown IATA: unknown

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
2,4,6-trinitrotoluene 2,4,6-trinitrotoluene 118-96-7 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 Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 15, 2017
Revision Date Aug 15, 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.

Spectrum

NMR Spectrum 1H NMR : Predict
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Related Compound Information