Name | 2,4-Dinitrotoluene |
Synonyms | 2,4-DNT NCI-C01865 Dinitrotoluol DINITROTOLUENE 2,4-Dinitrotoluene rcrawastenumberu105 toluene,2,4-dinitro- Toluene, 2,4-dinitro- dinitrotoluenes,molten Rcra waste number U105 1-methyl-2,3-dinitrobenzene 1-Methyl-2,4-dinitrobenzene |
CAS | 121-14-2 |
EINECS | 204-450-0 |
InChI | InChI=1/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3 |
InChIKey | RMBFBMJGBANMMK-UHFFFAOYSA-N |
Molecular Formula | C7H6N2O4 |
Molar Mass | 182.13 |
Density | 1,521 g/cm3 |
Melting Point | 67-70°C(lit.) |
Boling Point | 300 °C |
Flash Point | 155 °C |
Water Solubility | 0.3 g/L (20 ºC) |
Solubility | Soluble in acetone, ethanol, benzene, ether, and pyrimidine (Weast, 1986) |
Vapor Presure | 1 mm Hg ( 102.7 °C) |
Appearance | neat |
BRN | 1912834 |
pKa | 13.53 (Perrin, 1972) |
Storage Condition | 2-8°C |
Stability | Stable. Incompatible with oxidizing agents, reducing agents, strong bases. |
Refractive Index | 1.4420 |
Physical and Chemical Properties | trait yellow needle crystal or monoclinic prisms. Industrial products are oily liquids. |
Use | Used as a raw material for organic synthesis, dyes and explosives |
Risk Codes | 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 - Possible risk of impaired fertility R68 - Possible risk of irreversible effects R39/23/24/25 - R11 - Highly Flammable R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R36 - Irritating to the eyes R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
Safety Description | 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. S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S60 - This material and its container must be disposed of as hazardous waste. |
UN IDs | UN 3454 6.1/PG 2 |
WGK Germany | 3 |
RTECS | XT1575000 |
TSCA | Yes |
HS Code | 29042030 |
Hazard Class | 6.1 |
Packing Group | II |
Toxicity | Acute oral LD50 for mice 790 mg/kg, rats 268 mg/kg, guinea pigs 1.30 g/kg (quoted, RTECS, 1985). |
Raw Materials | Toluene Nitric acid |
light yellow, darker in the sun, and red in contact with alkali. Toxic, flammable. Vapor pressure 13. 33kPa/157.7 °c; Flash point 207 °c; Melting point 69.5 °c; Boiling point 300 °c. Slightly soluble in water, ethanol, ether, soluble in benzene, acetone and other organic solvents. Dinitrotoluene has certain chemical activity, can be decomposed by heat, and can be hydrolyzed in water. It is flammable in case of open flame and high heat. It is mixed with an oxidizing agent to form an explosive mixture. Combustion or explosion may be caused by friction, shock, or impact. A large amount of smoke is produced during combustion.
O-nitrotoluene or p-nitrotoluene is nitrated by mixed acid to produce dinitrotoluene, and the reaction product is separated, washed with water and distilled to obtain a finished product.
DNT is an important explosive and a starting material for the preparation of 2,4-= nitrotoluene. Can also be used in polyurethane, dyes, medicine, rubber and other organic synthesis industry.
highly toxic. With carcinogenicity. Rat oral LD50:268mg/kg. This product can cause methemoglobinemia. Staff should be well protected, if accidentally touch the eyes and skin, should immediately rinse with flowing water. Toxic to aquatic organisms, the concentration of 10 mg/L, can cause the death of fish and aquatic organisms. Extremely flammable and explosive. When there is a fire, use a dry powder, foam and other fire extinguishing, and water spray cooling container wall.
Henry's Law Constant | 5.39(x 10-8 atm?m3/mol) at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) |
(IARC) carcinogen classification | 2B (Vol. 65) 1996 |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
Uses | Used as a raw material for organic synthesis, dyes and explosives 2,4-dinitrotoluene can be derived from a series of intermediates, such as: These intermediates are used to produce sulphide yellow GC, sulphide yellow brown 5G, sulphide yellow brown 6G, sulphide red brown B3R and other dyes, produce explosive TNT, and produce 2,4-toluene diisocyanate. The amount of toluene diisocyanate in these intermediates is large, mainly used for bulk products such as polyurethane foam, polyurethane elasticity, polyurethane coatings, etc. |
production method | 1. obtained from nitration of p-nitrotoluene: nitration waste acid (sulfuric acid concentration is 77%) is added to the nitration kettle, then melted p-nitrotoluene is added and stirred to reduce the temperature in the kettle to about 55 ℃. Then the mixed acid (composed of 31.75% nitric acid and 64.85% sulfuric acid) is added in two batches. The first batch of feeding temperature is 52-56 ℃, and the second batch of feeding process temperature gradually rises from 54 ℃ to 70 ℃, about 6-7h after feeding, and the reaction continues at 75 ℃ for nearly 3h. After the reaction is completed, add cold water to dilute under stirring, and let it stand for cooling. After the upper reactants are completely solidified, the waste acid is released (part of it is applied). Heat and melt the reactant again, stir it a little and let it stand for cooling. After the reactant solidifies, put the waste acid again. The reactants were melted and neutralized with liquid alkali at 68-70°C to a pH of 5-6. Spray cold water to cool down, cool to 35 ℃, filter and wash with water to obtain 2, 4-dinitrotoluene. Raw material consumption quota: p-nitrotoluene 774kg/t, sulfuric acid (95.5%)785kg/t, nitric acid (98%)362kg/t. 2. Nitration of toluene: crude nitrotoluene containing o-nitrotoluene 62-63%, p-nitrotoluene 33-34% and m-nitrotoluene 3-4% was obtained in 97% yield. Mixed acid is added dropwise to this crude nitrotoluene. Stirring, nitrification reaction in 98.6% yield to obtain crude dinitrotoluene (CAS number [25321-14-6], is a mixture of three isomers). The general situation of material balance in nitrification process is as follows. Dissolve the dinitrotoluene mixture in methanol or ethanol, then cool, crystallize, separate and distill 2, 4-dinitrotoluene to obtain 2, 4-dinitrotoluene. The former method is mainly used to produce pure 2,4-dinitrotoluene, I .e. nitration of p-nitrotoluene, and the purity of industrial products is ≥ 95%. |
category | flammable solids |
toxicity classification | poisoning |
acute toxicity | oral-rat LD50: 268 mg/kg; Oral-mouse LD50: 790 mg/kg |
stimulation data | skin-rabbit 500 mg/24 hours mild |
explosive hazard characteristics | blastable when mixed with oxidant |
flammability hazard characteristics | flammable in case of open flame, high temperature and oxidant; toxic nitrogen oxide smoke from combustion |
storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants and acids |
fire extinguishing agent | water, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
occupational standard | TWA 1.5 mg/m3 |
toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |