2-Methylbenzenecarbonitrile
o-Tolunitrile
CAS: 529-19-1
Molecular Formula: C8H7N
2-Methylbenzenecarbonitrile - Names and Identifiers
| Name | o-Tolunitrile |
| Synonyms | O-TOLUNITRILE o-Tolunitrile o-Tolylnitrile o-toluonitrile O-TOLYL CYANIDE O-CYANO TOLUENE 2 cyano toluene o-toluic nitrile o-toluenenitrile ortho-tolunitrile 2-methyl-benzonitril 2-Methylbenzonitrile O-METHYLBENZONITRILE 2-Methylbenzenecarbonitrile 2,3-dimethylbicyclo[2.2.1]hept-2-ene |
| CAS | 529-19-1 |
| EINECS | 208-451-7 |
| InChI | InChI=1/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3 |
| InChIKey | NWPNXBQSRGKSJB-UHFFFAOYSA-N |
2-Methylbenzenecarbonitrile - Physico-chemical Properties
| Molecular Formula | C8H7N |
| Molar Mass | 117.15 |
| Density | 0.989 g/mL at 25 °C(lit.) |
| Melting Point | -13 °C |
| Boling Point | 205°C(lit.) |
| Flash Point | 184°F |
| Water Solubility | <0.1 g/100 mL at 17 ºC |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.243mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to slightly yellow |
| Exposure Limit | NIOSH: IDLH 25 mg/m3 |
| Merck | 14,9537 |
| BRN | 1857417 |
| PH | 7 (H2O, 20℃) |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.1-6.7%(V) |
| Refractive Index | n20/D 1.5279(lit.) |
| Physical and Chemical Properties | Colorless transparent liquid, Melting Point: -12-11 ℃, Boiling Point: 205 ℃, density: 0.993 |
| Use | For pharmaceutical and dye intermediates |
2-Methylbenzenecarbonitrile - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R38 - Irritating to the skin R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S37 - Wear suitable gloves. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | 3276 |
| WGK Germany | 2 |
| RTECS | XV0600000 |
| TSCA | Yes |
| HS Code | 29269095 |
2-Methylbenzenecarbonitrile - Upstream Downstream Industry
| Raw Materials | o-Xylene Nitric acid Ammonia o-Toluic acid |
2-Methylbenzenecarbonitrile - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | o-methylbenzonitrile and its derivatives are important intermediates in organic synthesis. At present, the preparation methods of o-methylbenzonitrile and its derivatives mainly include: 1) the preparation of aromatic nitrile compounds by nitrile reaction of CuCN and halogenated aromatic hydrocarbons. The advantage of this nitrile method is that it can react at high temperature in a suitable solvent without catalyst and ligand. At present, this method is still used in industrial production of aromatic nitrile compounds. The disadvantage of this method is that the reaction conditions are harsh, high temperature (150~250 ℃) is required, and high equipment requirements are required. 2) Using CuI as catalyst, DMDEA as ligand and toluene as reaction medium to catalyze brominated aromatic hydrocarbons to prepare aromatic nitrile-based compounds, the yield of aromatic nitrile-based compounds is 70% ~ 98% after 24 hours of reaction. |
| Use | Used as the main raw material for the production of fluorescent whitening agents, and can also be used in the dye, medicine, rubber and pesticide industries Used as medicine and dye intermediates |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral administration-rat LD50: 3200 mg/kg; Abdominal cavity-mouse LD50: 700 mg/kg |
| flammability hazard characteristics | open flame is combustible; combustion produces toxic nitrogen oxides and cyanide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants, acids and food additives |
| fire extinguishing agent | dry powder, foam, carbon dioxide, sand |
Last Update：2024-04-09 02:00:09
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Raw Materials for 2-Methylbenzenecarbonitrile