2-NitroTolueneForSynthesis
2-Nitrotoluene
CAS: 88-72-2
Molecular Formula: C7H7NO2
2-NitroTolueneForSynthesis - Names and Identifiers
| Name | 2-Nitrotoluene |
| Synonyms | o-itrotoluene o-Nitrotoluene O-NITROTOLUENE 2-Nitrotoluene Ortho Nitrotoluene o-nitrophenylmethane 1-Methyl-2-nitrobenzene 1-methyl-2-nitro-benzen 2-NitroTolueneForSynthesis 2-NITROTOLUENE OEKANAL, 250 MG |
| CAS | 88-72-2 |
| EINECS | 201-853-3 |
| InChIKey | PLAZTCDQAHEYBI-UHFFFAOYSA-N |
2-NitroTolueneForSynthesis - Physico-chemical Properties
| Molecular Formula | C7H7NO2 |
| Molar Mass | 137.14 |
| Density | 1.163g/mLat 25°C(lit.) |
| Melting Point | -9 °C |
| Boling Point | 225°C(lit.) |
| Flash Point | 223°F |
| Water Solubility | 0.44 g/L (20 ºC) |
| Solubility | 0.65g/l (experimental) |
| Vapor Presure | 0.1 hPa (20 °C) |
| Vapor Density | 4.72 |
| Appearance | Liquid |
| Color | Clear yellow to yellow-green |
| Exposure Limit | NIOSH REL: TWA 2 ppm (11 mg/m3), IDLH 200 ppm; OSHA PEL: TWA 5ppm (30 mg/m3); ACGIH TLV: TWA 2 ppm (adopted). |
| Merck | 14,6650 |
| BRN | 1907580 |
| PH | 6-8 (H2O) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Combustible. Incompatible with oxidizing agents, strong bases, sulfuric acid, reducing agents, hydrogen, sodium. |
| Explosive Limit | 1.47-8.8%(V) |
| Refractive Index | n20/D 1.546(lit.) |
| Physical and Chemical Properties | yellow flammable liquid. |
| Use | For dyes, pharmaceuticals, pesticides and plastics and other industries |
2-NitroTolueneForSynthesis - Risk and Safety
| Risk Codes | R45 - May cause cancer R46 - May cause heritable genetic damage R22 - Harmful if swallowed R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R62 - Possible risk of impaired fertility R36/37/38 - Irritating to eyes, respiratory system and skin. R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable R36 - Irritating to the eyes R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| 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. S27 - Take off immediately all contaminated clothing. S16 - Keep away from sources of ignition. S36/37 - Wear suitable protective clothing and gloves. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 1664 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | XT3150000 |
| TSCA | Yes |
| HS Code | 29042000 |
| Hazard Class | 6.1 |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: 891 mg/kg |
2-NitroTolueneForSynthesis - Upstream Downstream Industry
2-NitroTolueneForSynthesis - Nature
Open Data Verified Data
yellow flammable liquid. The relative density was 1. 163. Melting Point -9.5 °c. Boiling point 221.7 °c. Flash point 106 °c. Refractive index 5474. Ignition point: 420 ℃. Insoluble in water, soluble in chloroform and benzene, with ethanol, ether miscible.
Last Update：2025-06-10 22:55:16
2-NitroTolueneForSynthesis - Preparation Method
Open Data Verified Data
sulfuric acid and nitric acid are mixed into mixed acid, toluene is nitrated at about 50 ℃, and the waste acid is separated, washed with water, neutralized, dried, and finally separated by distillation.
Last Update：2022-01-01 10:44:30
2-NitroTolueneForSynthesis - Application
Open Data Verified Data
mainly used in the production of o-toluidine and other pesticides, dye intermediates, as well as paints and coatings, plastics and pharmaceuticals.
Last Update：2025-08-19 16:24:40
2-NitroTolueneForSynthesis - Safety
Open Data Verified Data
This product is toxic. See para-nitrotoluene. See p-nitrotoluene for packaging and storage.
Last Update：2022-01-01 10:44:30
2-NitroTolueneForSynthesis - Reference Information
| Henry's Law Constant | 1.25 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| (IARC) carcinogen classification | 2A (Vol. 101) 2013 |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| O-nitrotoluene | O-nitrotoluene is also known as 2-nitrotoluene, 1-methyl-2-nitrobenzene. Yellow oily transparent liquid. There is the odor of nitrobenzene. The relative density was 1.1629. Melting Point -2.9 ℃ (alpha-type, stable), -9.5 ℃ (beta-type, unstable). Boiling point 221.7 °c, 118 °c (2.133 X 103Pa), 50.0 °c (0.133 X 103Pa). Flash point 106.1 °c (closed). Refractive index 1.5450. Viscosity 0.0262MPA-s (15 °c). Vapor pressure (× 103Pa):10.906(5 ° C.), 12.639 (10 ° C.), 14.612(20 ° C.), and 15.892(30 ° C.). Slightly soluble in water (30 ° C 0.061), soluble in benzene, chloroform and petroleum ether, and ethanol and ether miscible. Volatilize with water vapor. Due to the strong electron absorption of the nitro group, the methyl group is easy to be oxidized, according to the oxidation conditions, O-nitrobenzaldehyde or O-nitrobenzoic acid can be generated; Under the action of Catalyst Reduction, o-toluidine can be generated, continue to nitration, generate 2,4 or 2,6 dinitrotoluene; Can also be chlorinated, generate nitrobenzyl chloride; Can also generate azo compounds. Rat oral LD50 801mg/kg. O-nitrotoluene is mainly used as dye raw materials to prepare dye intermediates such as 4-chloro-2-nitrotoluene, 6-chloro-2-nitrotoluene, o-toluidine, o-toluidine and 2, 6-dichlorobenzaldehyde; among them, 4-chloro-2-nitrotoluene is also a pharmaceutical raw material; O-toluidine is also a pesticide fungicide raw material and perfume raw material; Preparation of 2,2 '-dinitrobenzyl, pharmaceutical raw materials such as O-nitrobenzyl bromide and bromohexane; Indole is used as raw material of amino acid and plant growth regulator; Dinitrotoluene is used as raw material of powder; O-toluidine can also be used as vulcanization accelerator; preparation of O-nitrobenzoic acid as a pharmaceutical raw material. |
| Use | used as an intermediate for dyes and pesticides, and also used in the production of coatings, plastic and medicine, etc. mainly used in the production of o-toluidine, benzidine, is an important raw material for dyes, coatings, plastics and medicines. In the pharmaceutical industry for the production of nifedipine, tongjingning, imipramine hydrochloride, bromohexamine hydrochloride, diclofenac sodium penicillin. used in dye, medicine, pesticide and plastic industries |
| production method | nitration of toluene with mixed acid to produce mixed nitrotoluene, mainly O-nitrotoluene (about 2/3) and p-nitrotoluene (about 1/3), the pure product was obtained by separation. Add toluene to the reactor, cool to below 25 °c, add mixed acid (I. E. Nitric acid 25-30%, sulfuric acid 55-58% and water 20-21%), adjust the temperature should not exceed 50 ℃. Continuous stirring 1-2H, and then stand 6h, the formation of nitrotoluene separation, water washing, alkali washing, removal of unreacted toluene and aliphatic compounds, the crude composition of nitrotoluene product is O-nitrotoluene 55-60%, meta-position 2-5%, para-position 35-40%. The yield was 90-95%. Each isomer can be separated by crude distillation and crystallization using the difference between boiling point and melting point. That is, the crude nitrotoluene is first subjected to vacuum distillation, and most of the O-nitrotoluene is separated, and the residual fraction containing more p-nitrotoluene is separated by vacuum distillation, cooled and crystallized, The finished product was obtained by separation. Residues of high-boiling tar-like substances are present in the distillation kettle. The M-nitrotoluene is contained in the mother liquor after the separation of the para-position, and is obtained after repeated accumulation and rectification. The purity of ortho-and para-nitrotoluene can reach 98% and 99% respectively. The domestic process is two-pot tandem. The reaction temperature is 40-45 ℃ for the main pot and 50-55 ℃ for the secondary pot. The preparation of mixed acid was similar, nitric acid 26-28%, sulfuric acid 56-57%, water 16-18%. Raw material consumption quota: toluene (98%)800kg/t, nitric acid (98%)470kg/t, sulfuric acid (92.5%)450kg/t, caustic soda (42%)100kg/t. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 891 mg/kg; Oral-mouse LD50: 970 mg/kg |
| explosive hazard characteristics | explosive when mixed with air, explosion itself when exposed to heat |
| flammability hazard characteristics | open flame flammability; Toxic NOx smoke from combustion |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from oxidants and food additives |
| fire extinguishing agent | water, foam, carbon dioxide mist |
| Occupational Standard | TWA 28 mg/m3; Tel 58 mg/m3 |
| spontaneous combustion temperature | 420°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentration | 200 ppm |
Last Update：2024-04-09 20:52:54
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Raw Materials for 2-NitroTolueneForSynthesis
Downstream Products for 2-NitroTolueneForSynthesis
2-Chloro-6-nitrotoluene
2-Nitrobenzaldehyde
3-Chloro-2-methylaniline
2-Nitrobenzyl alcohol
5-Chloro-2-methylaniline
Nifedipine
2-Nitrobenzaldehyde
3-Chloro-2-methylaniline
2-Nitrobenzyl alcohol
5-Chloro-2-methylaniline
Nifedipine