2-Nitrotoluene
- CAS No.
- 88-72-2
- Chemical Name:
- 2-Nitrotoluene
- Synonyms
- 1-METHYL-2-NITROBENZENE;O-NITROTOLUENE;ONT;2NT;Ortho Nitrotoluene;2-METHYLNITROBENZENE;nsc9577;2-Nitrotol;88-72-2 ONT;o-itrotoluene
- CBNumber:
- CB1854572
- Molecular Formula:
- C7H7NO2
- Molecular Weight:
- 137.14
- MOL File:
- 88-72-2.mol
- Modify Date:
- 2025/2/27 17:16:38
| Melting point | -9 °C |
|---|---|
| Boiling point | 225 °C(lit.) |
| Density | 1.163 g/mL at 25 °C(lit.) |
| vapor density | 4.72 |
| vapor pressure | 0.1 hPa (20 °C) |
| refractive index |
n |
| Flash point | 223 °F |
| storage temp. | Store below +30°C. |
| solubility | 0.65g/l (experimental) |
| form | Liquid |
| color | Clear yellow to yellow-green |
| Specific Gravity | 1.16 |
| PH | 6-8 (H2O) |
| explosive limit | 1.47-8.8%(V) |
| Water Solubility | 0.44 g/L (20 ºC) |
| Merck | 14,6650 |
| BRN | 1907580 |
| Henry's Law Constant | 1.25 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 | 27.399999999999999 |
| Stability | Stable. Combustible. Incompatible with oxidizing agents, strong bases, sulfuric acid, reducing agents, hydrogen, sodium. |
| InChIKey | PLAZTCDQAHEYBI-UHFFFAOYSA-N |
| Surface tension | 41.5mN/m at 20°C |
| CAS DataBase Reference | 88-72-2(CAS DataBase Reference) |
| IARC | 2A (Vol. 101) 2013 |
| NIST Chemistry Reference | Benzene, 1-methyl-2-nitro-(88-72-2) |
| EPA Substance Registry System | o-Nitrotoluene (88-72-2) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS07,GHS08,GHS09 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H302-H340-H350-H361f-H411 | |||||||||
| Precautionary statements | P202-P264-P270-P273-P301+P312-P308+P313 | |||||||||
| Hazard Codes | T,N,F | |||||||||
| Risk Statements | 45-46-22-51/53-62-36/37/38-23/24/25-11-36-20/21/22 | |||||||||
| Safety Statements | 53-45-61-27-16-36/37-26 | |||||||||
| OEB | A | |||||||||
| OEL | TWA: 2 ppm (11 mg/m3) [skin] | |||||||||
| RIDADR | UN 1664 6.1/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | XT3150000 | |||||||||
| Autoignition Temperature | 420 °C | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29042000 | |||||||||
| Hazardous Substances Data | 88-72-2(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in Rabbit: 891 mg/kg | |||||||||
| IDLA | 200 ppm | |||||||||
| NFPA 704 |
|
2-Nitrotoluene price More Price(11)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 8.06806 | 2-Nitrotoluene for synthesis | 88-72-2 | 1L | ₹3840 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 8.06806 | 2-Nitrotoluene for synthesis | 88-72-2 | 100ML | ₹3890 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 438804 | 2-Nitrotoluene ≥99% | 88-72-2 | 5ML | ₹2342.1 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 438804 | 2-Nitrotoluene ≥99% | 88-72-2 | 100ML | ₹2901.25 | 2022-06-14 | Buy |
| ALFA India | ALF-A13446-36 | 2-Nitrotoluene, 99+% | 88-72-2 | 500g | ₹1977 | 2022-05-26 | Buy |
2-Nitrotoluene Chemical Properties,Uses,Production
Description
2-Nitrotoluene is a light yellow to darker yellow-green liquid. It is used for the synthesis of a variety of industrial products. These include to synthesise agricultural and rubber chemicals, azo and sulphur dyes, and dyes for cotton, wool, silk, leather, and paper. O-nitrotoluene decomposes on contact with strong oxidants, reducing agents, acids, or bases producing toxic fumes, nitrogen oxides, and carbon monoxide.
Physical properties
Clear, colorless to pale yellowish combustible liquid with a faint, aromatic odor. May darken on exposure to air.
Definition
ChEBI: 2-nitrotoluene is a mononitrotoluene that is toluene carrying a nitro substituent at position 2. It has a role as an environmental contaminant and a carcinogenic agent.
Preparation
2-Nitrotoluene was synthesized by nitration of toluene with mixed acid, A mixture of mononitrotoluene isomers can be prepared from the nitration of toluene between -10 oC and 30 oC. Lower temperatures result in little or no reaction, while higher temperatures will result in double nitration forming dinitrotoluenes.
Application
2-Nitrotoluene is a taggant used in explosive compounds and is often used as a simulant for nitro-based high explosives. Its photodissociation leads to the formation of atomic carbon and its emission is observed to overlap with NO emission. The energy transfer from laser-excited nitrogen to NO leads to a long lifetime of NO emission. Argon atoms stabilise the 2-nitrotoluene molecule and delay its photodissociation.[1]
General Description
Light yellow oily liquid with a characteristic odor of aromatic nitro compounds. Sinks in water. Derived from toluene by nitration and separation by fractional distillation. Flash point 223°F.
Air & Water Reactions
Insoluble in water.
Reactivity Profile
2-Nitrotoluene is toxic by inhalation, ingestion and skin aborption, targeting the blood, central nervous system, skin, and gastrointestinal tract. Symptoms include, anoxia, weakness or dizziness, nausea and vomiting. If 2-Nitrotoluene contacts the eye, the eye should be irrigated immediately. If 2-Nitrotoluene contacts the skin, the area should be washed with soap. If inhaled, respiratory support should be administered. Finally, if ingested, medical attention should be sought. 2-Nitrotoluene also reacts with sulfuric acid, sodium hydroxide, hydrogen, sodium, tetranitromethane, reducing agents and strong oxidizers. 2-Nitrotoluene is very heat sensitive.
Hazard
Toxic by inhalation, ingestion, skin absorption. Methemoglobinemia. Probable carcinogen.
Health Hazard
INHALATION, INGESTION, OR SKIN: Headache, flushing of face, dizziness, dyspnea (difficult breathing), cyanosis, nausea, vomiting, muscular weakness, increased pulse and respiratory rate, irritability, and convulsions. SKIN: Irritation.
Safety Profile
Confirmed carcinogen. A poison. Moderately toxic by ingestion. Mucous membrane effects by inhalation. Mutation data reported. Combustible when exposed to heat or open flame. To fight fire, use water spray, fog, foam, CO2. Potentially explosive reaction with alkali (e.g., sodmm hydroxide). 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.
Carcinogenicity
o-Nitrotoluene is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals and supporting data on mechanisms of carcinogenesis.
Environmental Fate
Biological. Robertson et al. (1992) reported that toluene dioxygenases from Pseudomonas putida F1 and Pseudomonas sp. Strain JS 150 oxidized the methyl group forming 2-nitrobenzyl alcohol.
Shipping
UN1664 Nitrotoluenes, (o-; m-; p-), Hazard Class: 6.1; Labels: 6.1-Poisonous materials.
Purification Methods
Crystallise 2-nitrotoluene (repeatedly) from absolute EtOH by cooling in a Dry-ice/alcohol mixture. Further purify it by passing an alcoholic solution through a column of alumina. [Beilstein 5 IV 845.]
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.
References
[1] H. DIEZ-Y RIEGA; H. E. UV and 532 nm Photo-Dissociation of 2-Nitrotoluene: Observation of Electronically-Excited NO; Emission from Carbon (I); N2–NO Energy Transfer; and Stabilization of 2-Nitrotoluene-Ar Clusters[J]. Applied Physics B, 2012, 108 1: 189-196. DOI:10.1007/s00340-012-5087-5.
2-Nitrotoluene Preparation Products And Raw materials
Raw materials
Preparation Products
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| Evans Fine Chem | +91-9821340302 +91-9821340302 | Maharashtra, India | 286 | 58 | Inquiry |
| CNS CHEMICALS | +91-9381957258 +91-9381957258 | Telangana, India | 354 | 58 | Inquiry |
| Deepak Nitrite Limited | +91-2652765200 +91-9574004054 | Vadodara, India | 32 | 58 | Inquiry |
| Dhara Industries | +91-9322395199 +91-9322395199 | Mumbai, India | 190 | 58 | Inquiry |
| Aarti Industries Limited (AIL) | +91-84596144931 +91-9920899935 | Maharashtra, India | 235 | 58 | Inquiry |
| LANXESS India Pvt. Ltd. | +91-8356878763 +91-8356878763 | Maharashtra, India | 190 | 58 | Inquiry |
| ARRAKIS INDUSTRIES LLP | +91 74995 32711 | Maharashtra, India | 1353 | 58 | Inquiry |
| JSK Chemicals | +919879767970 | Gujarat, India | 3756 | 58 | Inquiry |
| Scientific OEM | +91-22- 2343 7546 / 2341 3094 | New Delhi, India | 1994 | 38 | Inquiry |
| ALPHA CHEMIKA | +91-22-22061123 +91-22-66382501 | Mumbai, India | 1679 | 43 | Inquiry |
| Supplier | Advantage |
|---|---|
| Evans Fine Chem | 58 |
| CNS CHEMICALS | 58 |
| Deepak Nitrite Limited | 58 |
| Dhara Industries | 58 |
| Aarti Industries Limited (AIL) | 58 |
| LANXESS India Pvt. Ltd. | 58 |
| ARRAKIS INDUSTRIES LLP | 58 |
| JSK Chemicals | 58 |
| Scientific OEM | 38 |
| ALPHA CHEMIKA | 43 |
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