25321-14-6 structure, C7H6N2O4

DINITROTOLUENE

CAS No.

25321-14-6

Formula:

C7H6N2O4

Basic Info

Formula
C7H6N2O4
Molecular Weight
182.134
Exact Mass
182.033
LogP
2.8578
PSA
91.64
Synonyms

Dinitrophenylmethane

Methyldinitrobenzene

Toluene,dinitro

dinitro-toluen

binitrotoluene

dinitrotoluenes

ar,ar-dinitro-toluen

Methlydinitrobenzene

methyldinitro-benzen

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Properties

Appearance & Physical State
light yellow crystalline solid
Density
1.407 g/cm3
Boiling Point
250 - 300ºC
Melting Point
65 - 90ºC
Flash Point
207ºC
Refractive Index
1.587
Vapor Pressure
3.93E-05mmHg at 25°C

Safety Info

Risk Statements
R23/24/25
HS Code
2904203000
Hazard Class
6.1(a)
Packing Group
II

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 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name DINITROTOLUENE

1.2 Other means of identification

Product number -
Other names Methyldinitrobenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. The predominant use of 2,4-dinitrotoluene is as an intermediate in the manufacture of polyurethanes. 2,4-Dinitrotoluene is also used for the production of explosives, for which it is a gelatinizing and waterproofing agent. Other applications include uses as an intermediate in dye processes and in smokeless gunpowders.
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

Germ cell mutagenicity, Category 2

Carcinogenicity, Category 1B

Specific target organ toxicity – repeated exposure, Category 2

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

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

Reproductive toxicity, 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

H341 Suspected of causing genetic defects

H350 May cause cancer

H373 May cause damage to organs through prolonged or repeated exposure

H410 Very toxic to aquatic life with long lasting effects

H361f

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.

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.

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

P311 Call a POISON CENTER/doctor/…

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

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
DINITROTOLUENE DINITROTOLUENE 25321-14-6 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 .

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. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

Ingestion or overexposure to vapors from hot liquid can cause loss of color, nausea, headache, dizziness, drowsiness, collapse. Hot liquid can burn eyes and skin. Prolonged skin contact with solid can give same symptoms as after inhalation or ingestion. (USCG, 1999)

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

In case of ingestion, induction of emesis is not recommended because of the potential for central nervous system depression. Gastric lavage and administration of activated charcoal may be considered soon after ingestion, provided airways are protected. /Dinitrotoluene/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

WATER, DRY CHEMICAL, OR CARBON DIOXIDE FROM PROTECTED LOCATION.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: Combustible material: may burn but does not ignite readily. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2016)

Special Hazards of Combustion Products: Nitrogen oxides and dense black smoke are produced in a fire. Behavior in Fire: Decomposition is self- sustaining at 280°C. Containers may explode in a fire. (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

Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

1) REMOVE ALL IGNITION SOURCES. 2) VENTILATE AREA OF SPILL. 3) FOR SMALL QUANTITIES, SWEEP ONTO PAPER OR OTHER SUITABLE MATERIAL & BURN IN SUITABLE COMBUSTION CHAMBER WHICH ALLOWS BURNING IN UNCONFINED CONDITION & IS EQUIPPED WITH APPROPRIATE EFFLUENT GAS CLEANING DEVICE. LARGE QUANTITIES MAY BE RECLAIMED; ... IF ... NOT PRACTICAL, DISSOLVE IN FUEL OIL & ATOMIZE IN SUITABLE COMBUSTION CHAMBER EQUIPPED WITH APPROPRIATE EFFLUENT GAS CLEANING DEVICE.

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 strong bases, food and feedstuffs, oxidants and strong reducing agents. Well closed. Keep in a well-ventilated room. Store in an area without drain or sewer access.PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

NIOSH considers dinitrotoluene to be a potential occupational carcinogen. /Dinitrotoluene/

NIOSH usually recommends that occupational exposures to carcinogens be limited to the lowest feasible concentration. /Dinitrotoluene/

Recommended Exposure Limit: 10 Hour Time-Weighted Average: 1.5 mg/cu m, skin. /Dinitrotoluene/

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 light yellow crystalline solid
Colour Yellow needles or monoclinic prisms
Odour SLIGHT ODOR
Melting point/ freezing point 65 - 90ºC
Boiling point or initial boiling point and boiling range 250 - 300ºC
Flammability Combustible Solid, but difficult to ignite.Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 207ºC
Auto-ignition temperature 400°C
Decomposition temperature 250-300°C
pH no data available
Kinematic viscosity 0.0034553 Pa.s at 342.65 deg K
Solubility Very slightly soluble
Partition coefficient n-octanol/water (log value) log Kow = 1.98
Vapour pressure 3.93E-05mmHg at 25°C
Density and/or relative density 1.407 g/cm3
Relative vapour density 6.3 (Relative to 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

Dust explosion possible if in powder or granular form, mixed with air.Dust explosion possible if in powder or granular form, mixed with air.DINITROTOLUENE is incompatible with strong oxidizing agents, caustics, active metals, tin and zinc . Decomposes at 250°C. Prolonged heating below this temperature causes some decomposition, and the presence of impurities may decrease the decomposition temperatures. Decomposition is self-sustaining at 280°C. Containers may explode in a fire (USCG, 1999). Reacts with oxidizing agents, caustics, nitric acid, reducing materials and metals such as zinc or tin. May react violently in the presence of a base or when heated to the boiling point. Attacks some forms of plastics, rubbers and coatings. .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Dinitrotoluene held at 210°C (rather than 125°C as intended) for 10 days in a 50 mm steam heated transfer pipeline exploded. Subsequent tests showed decomposition at 210°C (producing a significant pressure rise) in 1 day, and presence of sodium carbonate (but not rust) reduced the induction period. A maximum handling temperature of 150°C was recommended, (when the induction period was 32 days, or 14 days for alkali contaminated material).

10.6 Hazardous decomposition products

Spontaneously decomposes above 536 deg F (280°C) and will cause an explosive if confined. ... Air or oxygen is not required for decomposition or oxidation.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 1630 mg/kg bw
  • 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

Evaluation: There is inadequate evidence in humans for the carcinogenicity of 2,4-dinitrotoluene. ... There is sufficient evidence in experimental animals for the carcinogenicity of 2,4-dinitrotoluene. ... Overall evaluation: 2,4-Dinitrotoluene ... /is/ possibly carcinogenic to humans (Group 2B).

Reproductive toxicity

A significant reduction in sperm counts and normal sperm morphology was observed in one study of chronically exposed workers while several other studies did not report these effects. A small, but statistically significant, increase in spontaneous abortions was reported in one study of chronically exposed workers; several methodological problems with the study were noted. In animals orally exposed to 2,4-dinitrotoluene, decreased fertility was reported. Decreased sperm production, testicular atrophy, and degenerated seminiferous tubules were observed in males, and ovarian atrophy and dysfunction were observed in female rats. No birth defects were observed in the offspring of animals fed 2,4-dinitrotoluene in the diet.

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); Concentration: 24.3 mg/L for 96 hr (confidence limit 23.0 to 25.6 mg/L). Affected fish lost schooling behavior, were hypoactive and underreactive to external stimuli, swam near the tank surface and had increased respiration. They also had rigid musculature, convulsions and spinal column deformities. In addition, the fish were darkly colored and lost equilibrium prior to death. /Conditions of bioassay not specified
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea); Conditions: freshwater, renewal, 25°C, pH >7; Concentration: 38000 ug/L for 24 hr; Effect: behavior, equilibrium /formulation
  • Toxicity to algae: EC50; Species: Pseudokirchneriella subcapitata (Green Algae) exponential growth phase; Conditions: freshwater, static, 25°C, pH 6.0-7.5; Concentration: 14.3 uM for 96 hr (95% confidence interval: 10.5-19.2 uM); Effect: decreased population abundance
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: 2,4-Dinitrotoluene was reduced by 80%, of which 22% was transformed to 4-amino-2-nitrotoluene and 6% to 2-amino-4-nitrotoluene, by a mixture of microorganisms indigenous to an aquifer which underlies an explosives contaminated site(1); in the same study, approximately 28% of the 2,4-dinitrotoluene was mineralized to carbon dioxide within 28 days, while approximately 20% was not degraded within 28 days(1). In a wastewater treatment plant handling munitions wastewater, aerobic biodegradation of 2,4-dinitrotoluene was accelerated by addition of ethanol and phosphate(2); 4-amino-2-nitrotoluene and 2-amino-4-nitrotoluene were consistently observed as the main biodegradation reduction products(2). 2,4-Dinitrotoluene, present at 100 mg/L, reached 0% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test that suggests the compound is not readily biodegradable(3). In soil column studies using a munitions plant soil previously exposed to 2,4-nitrotoluene, 2,4-nitrotoluene biodegradation of 2,4-dinitrotoluene was rapid in the presence of natural mineral water, but slower in the presence of deionized water(4).

12.3 Bioaccumulative potential

Bioconcentration factor (weighted average) = 3.8 (calculated) for aquatic organisms that contain about 7.6% lipids.

12.4 Mobility in soil

In a loamy sand soil containing an organic matter content of 8.5 g/kg, 2,4-dinitrotoluene had measured Kd adsorption coefficients ranging from 0.28 to 1.11 cu cm/g(1) that correspond to a Koc range of 57 to 225(SRC). In three Chinese soils (organic carbon content of 0.47, 1.0 and 2.2%), measured Freundlich coefficients (Kf) for 2,4-dinitrotoluene ranged from 0.66 to 5.1 mmol-L/kg(2) that correspond to a Koc range of approximately 200 to 1000(SRC). Using a structure estimation method based on molecular connectivity indices(3), the Koc for 2,4-dinitrotoluene can be estimated to be 575(SRC). According to a classification scheme(4), a Koc range of 57-1000 suggests that 2,4-dinitrotoluene can have a high to low mobility range in soil. Leaching of 2,4-dinitrotoluene has been observed in soil column transport studies(5).

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: no data available IMDG: no data available IATA: no data available

14.2 UN Proper Shipping Name

ADR/RID: no data available
IMDG: no data available
IATA: no data available

14.3 Transport hazard class(es)

ADR/RID: no data available IMDG: no data available IATA: no data available

14.4 Packing group, if applicable

ADR/RID: no data available IMDG: no data available IATA: no data available

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
DINITROTOLUENE DINITROTOLUENE 25321-14-6 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 Not 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 13, 2017
Revision Date Aug 13, 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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Toxicity

ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
750 mg/kg
Toxic Effects
Behavioral--convulsions or effect on seizure threshold<br>Lungs, Thorax, or Respiration--dyspnea
Reference
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. (Tohoku University, Research Institute for Tuberculosis and Cancer, 4-1 Seiryo-machi, Sendai, Japan) V.1- 1949- Volume(issue)/page/year: 36(1-4),10,1989
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - guinea pig
Dose/Duration
1300 mg/kg
Toxic Effects
Brain and Coverings--other degenerative changes<br>Lungs, Thorax, or Respiration--dyspnea<br>Lungs, Thorax, or Respiration--respiratory stimulation
Reference
Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 42(10),17,1977
OTHER MULTIPLE DOSE TOXICITY DATA
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Type of Test
TDLo - Lowest published toxic dose
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
4550 ug/kg/26W-I
Toxic Effects
Blood--other changes<br>Biochemical-Enzyme inhibition, induction, or change in blood or tissue levels-other esterases<br>Biochemical-Enzyme inhibition, induction, or change in blood or tissue levels-other oxidoreductases
Reference
Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 42(10),17,1977

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