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| CAS No.: | 121-14-2 |
|---|---|
| Name: | 2,4-Dinitrotoluene |
| Article Data: | 121 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6N2O4 |
| Molecular Weight: | 182.136 |
| Synonyms: | 1-Methyl-2,4-Dinitrobenzene;2,4-Dinitrotoluol;2,4-DNT; |
| EINECS: | 204-450-0 |
| Density: | 1.408 g/cm3 |
| Melting Point: | 67-70 °C(lit.) |
| Boiling Point: | 299.887 °C at 760 mmHg |
| Flash Point: | 146.943 °C |
| Solubility: | 0.3 g/L (20 °C) in water |
| Appearance: | solid |
| Hazard Symbols: |
 T,  N,  F
|
| Risk Codes: | 45-23/24/25-48/22-51/53-62-68-39/23/24/25-11 |
| Safety: | 53-45-61-36/37 |
| Transport Information: | UN 3454 6.1/PG 2 |
| PSA: | 91.64000 |
| LogP: | 2.85780 |
| Conditions | Yield |
|---|---|
| With nitric acid at 50℃; for 3h; | 100% |
| With nitrourea; sulfuric acid at 25℃; for 24h; | 99% |
| With ethylene glycol dinitrate In sulfuric acid at 0 - 20℃; | 99% |
1-Methoxy-2-(dimethyl-alanoxy)-ethan
2,4-Dinitrofluorobenzene
2,4-dinitrotoluene
| Conditions | Yield |
|---|---|
| Pd(dippp)2 In benzene at 90℃; for 4.5h; Methylation; | 100% |
1-Methoxy-2-(dimethyl-alanoxy)-ethan
1-chloro-2,4-dinitro-benzene
2,4-dinitrotoluene
| Conditions | Yield |
|---|---|
| Pd(dippp)2 In benzene at 90℃; for 4.5h; Methylation; | 100% |
| Conditions | Yield |
|---|---|
| With nitric acid; acetic anhydride at 50℃; for 4h; | 97% |
| bei der Nitrierung; | |
| With Nitroethane; boron trifluoride-dinitrogen tetraoxide |
| Conditions | Yield |
|---|---|
| With nitric acid; Chloroacetic anhydride at 50℃; for 4h; | A 94% B 5% |
| With dinitrogen pentoxide; H-faujasite zeolite F-712 In dichloromethane | A 77% B 15% |
| With nitric acid at 50℃; for 3h; | A 71.5% B 28.5% |
| Conditions | Yield |
|---|---|
| With nitric acid; propionic acid anhydride at 0 - 50℃; Product distribution / selectivity; | 94% |
| With nitric acid; dichloroacetic anhydride at 50℃; for 0.5h; Reagent/catalyst; Time; | 94% |
| With nitric acid at 70 - 80℃; anschliessend Erwaermen mit HNO3 auf 80grad; |
| Conditions | Yield |
|---|---|
| With nitric acid In neat (no solvent) at 90℃; for 4h; regioselective reaction; | A 9 %Chromat. B 88% |
| With nitric acid In hexane at 90℃; for 4h; regioselective reaction; | A 63.5 %Chromat. B 36.4 %Chromat. |
| Conditions | Yield |
|---|---|
| With succinic acid anhydride; nitric acid at 4℃; for 50h; Product distribution / selectivity; | A 85% B 8.2% |
| With Perfluorooctanesulfonic acid; nitric acid; ytterbium(III) perfluorooctanesulfonate In hexane at 60℃; for 4h; | A 84% B 16% |
| With Perfluorooctanesulfonic acid; nitric acid; ytterbium(III) perfluorooctanesulfonate In hexane at 60℃; for 4h; | A 80% B 18% |
toluene
A
1-methyl-4-nitrobenzene
B
2,4-dinitrotoluene
C
2,6-dinitrotoluene
| Conditions | Yield |
|---|---|
| With succinic acid anhydride; nitric acid at 4℃; for 50h; Product distribution / selectivity; | A 7.9% B 85% C 6.3% |
| With nitric acid; dichloroacetic anhydride In dichloromethane at 50℃; for 0.166667h; Time; |
2,4-dinitrobromobenzene
1-Methoxy-2-(dimethyl-alanoxy)-ethan
2,4-dinitrotoluene
| Conditions | Yield |
|---|---|
| Pd(dippp)2 In benzene at 90℃; for 22h; Methylation; | 80% |
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Molecular structure of 2,4-Dinitrotoluene (CAS NO.121-14-2) is:
Product Name: 2,4-Dinitrotoluene
CAS Registry Number: 121-14-2
IUPAC Name: 1-Methyl-2,4-dinitrobenzene
Molecular Weight: 182.13354 [g/mol]
Molecular Formula: C7H6N2O4
XLogP3: 2
H-Bond Donor: 0
H-Bond Acceptor: 4
EINECS: 204-450-0
Melting Point: 67-70 °C(lit.)
Surface Tension: 57.2 dyne/cm
Density: 1.407 g/cm3
Flash Point: 146.9 °C
Enthalpy of Vaporization: 51.83 kJ/mol
Boiling Point: 299.9 °C at 760 mmHg
Vapour Pressure: 0.00207 mmHg at 25 °C
Water Solubility: 0.3 g/L (20 °C)
Stability: Stable. Incompatible with oxidizing agents, reducing agents, strong bases.
Product Categories: Intermediates of Dyes and Pigments; Aromatic Hydrocarbons (substituted) & Derivatives; Alpha Sort; DAlphabetic; DID - DIN; DID - DINEnvironmental Standards; Method 8330Analytical Standards; Solid WasteMore...Close...; 8000 Series Solidwaste Methods; Analytical Standards; AromaticsAlphabetic; Chemical Class; D; Environmental Standards; ExplosivesEPA; Nitro CompoundsChromatography; Volatiles/ Semivolatiles; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks; AromaticsVolatiles/ Semivolatiles; DID - DINAnalytical Standards
2,4-Dinitrotoluene (CAS NO.121-14-2) is used in the production of toluene diisocyanate which is used to produce flexible polyurethane foams. It is hydrogenated to produce toluenediamine, which in turn is phosgenated to form toluene diisocyanate. Other uses include the explosives industry. also it used as material in organic synthesis, dyestuff and explosive.
The dinitrotoluenes [CH3C6H3(NO2)2] are manufactured by the nitration of toluene that gives a mixture containing 65 to 80% of the 2,4-dinitro derivative and 20 to 35% of the 2,6-dinitro compound.
2C6H5CH3 + 4HNO3 + 4H+ → 2,4 (NO2)2C6H3CH3
+ 2,6(NO2)2C6H3CH3 + 4H2O
If the pure 2,4-compound is required, mononitration of toluene followed by separation of pure,p-nitrotoluene from the ortho isomer, and then further nitration of,p-nitrotoluene gives the pure 2,4-dinitro isomer.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | subcutaneous | 25mg/kg (25mg/kg) | U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 110, 1941. | |
| guinea pig | LD50 | skin | > 1gm/kg (1000mg/kg) | National Technical Information Service. Vol. OTS0572393, | |
| mouse | LD50 | oral | 790mg/kg (790mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981. | |
| rat | LD50 | oral | 268mg/kg (268mg/kg) | National Technical Information Service. Vol. PB214-270, |
NCI Carcinogenesis Bioassay (feed); No Evidence: mouse NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-54 ,1978. ; Some Evidence: rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-54 ,1978. . Reported in EPA TSCA Inventory.
Suspected carcinogen with experimental carcinogenic and neoplastigenic data. Poison by ingestion and subcutaneous routes. Experimental reproductive effects. A skin irritant. Mutation data reported. An irritant and an allergen. Can cause anemia, methemoglobinemia, cyanosis, and liver damage. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use water spray or mist, dry chemical. Decomposes when heated to 250°C. There are instances of explosion during manufacture or storage. Mixture with nitric acid is a high explosive. Mixture with sodium carbonate can decompose with significant pressure increase at 210°C. Mixtures with other alkalies may have the same effect. Ignites on contact with sodium oxide. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: 
T, 
N, 
F
Risk Statements: 45-23/24/25-48/22-51/53-62-68-39/23/24/25-11
R45:May cause cancer.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R62:Risk of impaired fertility.
R68:Possible risk of irreversible effects.
R39/23/24/25:Danger of very serious irreversible effects and Toxic by inhalation, in contact with skin and if swallowed.
R11:Highly flammable.
Safety Statements: 53-45-61-36/37
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 3454 6.1/PG 2
WGK Germany: 3
RTECS: XT1575000
HazardClass: 6.1
PackingGroup: II
OSHA PEL: TWA 1.5 mg/m3 (skin)
NIOSH REL: (Dinitrotoluene) Reduce to lowest level
For occupational chemical analysis use OSHA: #44.
2,4-Dinitrotoluene , its cas register number is 121-14-2. It also can be called 1-Methyl-2,4-dinitrobenzene ; 2,4-DNT ; 2,4-Dinitro-1-methylbenzene; 2,4-Dinitromethylbenzene ; 2,4-Dinitrotoluol ; 4-Methyl-1,3-dinitrobenzene ; AI3-15342 ; CCRIS 268 ; HSDB 1144 ; NCI-C01865 ; NSC 7194 ; RCRA waste number U105 ; Toluene, 2,4-dinitro- ; Benzene, 1-methyl-2,4-dinitro- ; Toluene, 2,4-dinitro- ; Dinitrotoluene . It is a solidifies if allowed to cool.
