4-Nitrotoluene
- CAS No.
- 99-99-0
- Chemical Name:
- 4-Nitrotoluene
- Synonyms
- PNT;1-METHYL-4-NITROBENZENE;P-NITROTOLUENE;PARA NITRO TOLUENE;4-nitrobenzene;p-Nitrotoluene 5g [99-99-0];4NT;nci9579;4-Nitrotol;NCI-C60537
- CBNumber:
- CB6287780
- Molecular Formula:
- C7H7NO2
- Molecular Weight:
- 137.14
- MOL File:
- 99-99-0.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/3/1 17:44:47
| Melting point | 52-54 °C (lit.) |
|---|---|
| Boiling point | 238 °C (lit.) |
| Density | 1.392 g/mL at 25 °C (lit.) |
| vapor density | 4.7 (vs air) |
| vapor pressure | 5 mm Hg ( 85 °C) |
| refractive index | 1.5382 |
| Flash point | 223 °F |
| storage temp. | 2-8°C |
| solubility | 0.26g/l |
| form | Crystalline Solid |
| pka | 11.27 (Perrin, 1972) |
| Specific Gravity | 1.392 |
| color | Yellow |
| explosive limit | 1.6%(V) |
| Water Solubility | 0.35 g/L (20 ºC) |
| Merck | 14,6650 |
| BRN | 1906911 |
| Henry's Law Constant | 5.64 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) |
| Exposure limits | NIOSH REL: TWA 2 ppm (11 mg/m3), IDLH 200 ppm; OSHA PEL: TWA 5 ppm (30 mg/m3); ACGIH TLV: TWA 2 ppm (adopted). |
| Dielectric constant | 22.2（58.0℃） |
| Stability | Stability May be shock sensitive. Incompatible with sulfuric acid, strong bases, reducing agents, strong oxidizing agents. |
| InChIKey | ZPTVNYMJQHSSEA-UHFFFAOYSA-N |
| LogP | 2.37 at 25℃ |
| CAS DataBase Reference | 99-99-0(CAS DataBase Reference) |
| IARC | 3 (Vol. 65) 1996 |
| NIST Chemistry Reference | Benzene, 1-methyl-4-nitro-(99-99-0) |
| EPA Substance Registry System | p-Nitrotoluene (99-99-0) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS06,GHS08,GHS09 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H301+H311+H331-H373-H411 | |||||||||
| Precautionary statements | P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314 | |||||||||
| Hazard Codes | T,N,F,Xn | |||||||||
| Risk Statements | 23/24/25-33-51/53-36/37/38-11-36-20/21/22 | |||||||||
| Safety Statements | 28-37-45-61-28A-27-16-36/37-26 | |||||||||
| RIDADR | UN 3446 6.1/PG 2 | |||||||||
| OEB | A | |||||||||
| OEL | TWA: 2 ppm (11 mg/m3) [skin] | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | XT3325000 | |||||||||
| Autoignition Temperature | 734 °F | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29042000 | |||||||||
| Toxicity | LD50 orally in Rabbit: 1960 mg/kg LD50 dermal Rat > 16000 mg/kg | |||||||||
| NFPA 704 |
|
4-Nitrotoluene price More Price(6)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | N27322 | 4-Nitrotoluene 99% | 99-99-0 | 100G | ₹2964.55 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | N27322 | 4-Nitrotoluene 99% | 99-99-0 | 1KG | ₹3502.6 | 2022-06-14 | Buy |
| TCI Chemicals (India) | N0276 | 4-Nitrotoluene min. 99.0 % | 99-99-0 | 25G | ₹1800 | 2022-05-26 | Buy |
| TCI Chemicals (India) | N0276 | 4-Nitrotoluene min. 99.0 % | 99-99-0 | 500G | ₹7800 | 2022-05-26 | Buy |
| ottokemi | N 1995 | p-Nitro toluene 98% | 99-99-0 | 500gm | ₹477 | 2022-05-26 | Buy |
4-Nitrotoluene Chemical Properties,Uses,Production
Chemical Properties
light yellow crystals
Uses
4-Nitrotoluene is an explosive material.
Production Methods
After distillation of the meta fraction from the isomer mixture, the still residues are cooled in a crystallizer to separate technical quality 4-nitrotoluene. Further distillation of nitrotoluene residues and fractions should be implemented with great care because this has been reported to cause explosions.
General Description
A yellow liquid with a weak aromatic odor. Toxic. Insoluble in water. Combustible but may take some effort to ignite. Produces toxic oxides of nitrogen when burned. In a spill, immediate steps should be taken to limit its spread to the environment. Can easily penetrate the soil and contaminate groundwater or nearby streams. Used to make other chemicals.
Air & Water Reactions
Insoluble in water.
Reactivity Profile
4-Nitrotoluene may react violently with sodium, tetranitromethane, strong oxidizing agents , sulfuric acid and other acids.
Hazard
Toxic by inhalation, ingestion, skin absorption. Methemoglobinemia. Questionable carcinogen.
Health Hazard
INHALATION, INGESTION, OR SKIN: Headache, flushed face, dizziness, dyspnea (difficult breathing), cyanosis, nausea, vomiting, muscular weakness, rapid pulse and respiration, irritability, and convulsions.
Fire Hazard
Special Hazards of Combustion Products: Yields toxic oxides of nitrogen when burning.
Safety Profile
A poison. Moderately toxic by ingestion, inhalation, and intraperitoneal routes. Mildly toxic by skin contact. Mutation data reported. Combustible when exposed to heat or flame. To fight fire, use CO2, dry chemical, foam. The residue from vacuum distillation may explode spontaneously. Reacts with sodmm to form an ignitable product. Violent reaction with concentrated sulfuric acid (above 16O°C), sulfuric acid + sulfur trioxide (above 52°C). Mixtures with tetranitromethane are sensitive high explosives. May explode on standing. It has been involved in plant scale explosions. When heated to decomposition it emits toxic fumes of NOx. See also other methylnitrobenzene entries and NITRO COMPOUNDS OF AROMATIC HYDROCARBONS.
Potential Exposure
The nitrotoluenes are used in the production of toluidines and other dye intermediates. All isomers are used in manufacture of agriculture and rubber chemicals and in various dyes.
Environmental Fate
Biological. Under anaerobic conditions using a sewage inoculum, 3- and 4-nitrotoluene both
degraded to toluidine (Hallas and Alexander, 1983). Robertson et al. (1992) reported that toluene
dioxygenases from Pseudomonas putida F1 and Pseudomonas sp. Strain JS 150 oxidized the
methyl group forming 2-methyl-5-nitrophenol and 3-methyl-6-nitrocatechol.
Chemical. Though no products were identified, 4-nitrotoluene (1.5 x 10-5 M) was reduced by
iron metal (33.3 g/L acid washed 18 to 20 mesh) in a carbonate buffer (1.5 x 10-2 M) at pH 5.9 and
15 °C. Based on the pseudo-first-order disappearance rate of 0.0335/min, the half-life was 20.7
min (Agrawal and Tratnyek, 1996).
Shipping
UN1664 Nitrotoluenes, (o-; m-; p-), Hazard Class: 6.1; Labels: 6.1-Poisonous materials.
Purification Methods
Dry it in air, then dry it in a vacuum desiccator over H2SO4. [Wright & Grilliom J Am Chem Soc 108 2340 1986, Beilstein 5 IV 848.]
Incompatibilities
Decomposes on contact with strong oxidizers; strong acids; reducing agents; strong bases; ammonia, amines producing toxic fumes, causing fire and explosion hazard. Heat above 190C may cause explosive decomposition. Attacks some plastics, rubbers, and coatings.
Waste Disposal
Controlled incineration-care must be taken to maintain complete combustion at all times. Incineration of large quantities may require scrubbers to control the emission of nitrogen oxides.
4-Nitrotoluene Preparation Products And Raw materials
Raw materials
1of2
chevron_rightPreparation Products
1of7
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