1-methyl-3-nitrobenzene
3-Nitrotoluene
CAS: 99-08-1
Molecular Formula: C7H7NO2
1-methyl-3-nitrobenzene - Names and Identifiers
1-methyl-3-nitrobenzene - Physico-chemical Properties
| Molecular Formula | C7H7NO2 |
| Molar Mass | 137.14 |
| Density | 1.157g/mLat 25°C(lit.) |
| Melting Point | 15 °C |
| Boling Point | 230-231°C(lit.) |
| Flash Point | 215°F |
| Water Solubility | insoluble |
| Solubility | 0.419g/l |
| Vapor Presure | 1 mm Hg ( 50.2 °C) |
| Vapor Density | 4.73 (vs air) |
| Appearance | Liquid |
| Color | Clear yellow to yellow-brownish |
| 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 | 1906910 |
| Storage Condition | 2-8°C |
| Stability | Stable. Combustible. Incompatible with reducing agents, strong oxidizing agents, strong bases. |
| Explosive Limit | 2.2%(V) |
| Refractive Index | n20/D 1.541(lit.) |
| Physical and Chemical Properties | trait yellow flammable liquid or crystal. |
| Use | For dyes, pesticides, pharmaceuticals, color film developer |
1-methyl-3-nitrobenzene - Risk and Safety
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R33 - Danger of cumulative effects R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R36/37/38 - Irritating to eyes, respiratory system and skin. R11 - Highly Flammable R36 - Irritating to the eyes R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. 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. S37 - Wear suitable gloves. S28A - S27 - Take off immediately all contaminated clothing. S16 - Keep away from sources of ignition. 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 | 2 |
| RTECS | XT2975000 |
| TSCA | Yes |
| HS Code | 29042000 |
| Hazard Class | 6.1 |
| Packing Group | II |
| Toxicity | Acute oral LD50 for guinea pigs 3,600 mg/kg, mice 330 mg/kg, rats 1,072 mg/kg, rabbits 2,400 (quoted, RTECS, 1985). |
1-methyl-3-nitrobenzene - Nature
Open Data Verified Data
yellow flammable liquid or crystal. The relative density was 1. 15 71. Melting point 1 6 ℃. Boiling point 231.9 °c. Refractive index 5466. Flash point 1 06 degrees Celsius. Insoluble in water, soluble in benzene, and ethanol, ether miscible.
Last Update：2024-01-02 23:10:35
1-methyl-3-nitrobenzene - Preparation Method
Open Data Verified Data
toluene was nitrated with mixed acid at about 50 ° C., fractionated and refined (see O-nitrotoluene for details).
Last Update：2022-01-01 10:44:32
1-methyl-3-nitrobenzene - Use
Open Data Verified Data
used in organic synthesis as pesticide, medicine, dye, color developer, plastic and synthetic fiber auxiliary intermediates.
Last Update：2022-01-01 10:44:31
1-methyl-3-nitrobenzene - Safety
Open Data Verified Data
This product is toxic. See para-nitrotoluene. See p-nitrotoluene for packaging and storage.
Last Update：2022-01-01 10:44:31
1-methyl-3-nitrobenzene - Reference Information
| Henry's Law Constant | 9.31 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) |
| LogP | 2.4 |
| (IARC) carcinogen classification | 3 (Vol. 65) 1996 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 3-nitrotoluene is obtained by nitration of toluene with mixed acid below 50 ℃, fractionation and refining. With different reaction conditions and catalysts, different products can be obtained, such as O-nitrotoluene, P-nitrotoluene, M-nitrotoluene, 2, 4-dinitrotoluene and 2,4, 6-trinitrotoluene. Nitrotoluene and dinitrotoluene are important pharmaceutical, dye and pesticide intermediates. Under the general reaction conditions, the ortho-position product is more than the para-position, and the para-position product is much more than the meta-position in the three intermediates of nitrotoluene. At present, the domestic market has a large demand for the adjacent and para positions of nitrotoluene, so the topic of localized nitration of toluene is being studied at home and abroad, and the yield of adjacent and para positions is expected to be increased as much as possible. However, at present, there is no ideal result, and the formation of a certain amount of M-nitrotoluene is inevitable. Due to the development and utilization of M-nitrotoluene did not keep up in time, so that the toluene nitrification by-products can only be sold at a low price or a large number of inventory backlog, resulting in a great consumption of chemical resources. |
| properties | 3-nitrotoluene is a light yellow oily liquid, with the odor of nitrobenzene. The relative density is 1.1571, the melting point is 16 ℃, and the boiling point is 230~231 ℃. Almost insoluble in water, soluble in ethanol, ether, chloroform and benzene. Can be volatilized with water vapor. |
| preparation | obtained by nitration of toluene with a mixed acid at 50 ° C. Or lower, and fractionation and purification. |
| Application | The downstream products synthesized from M-nitrotoluene are mainly oxidation, reduction and chlorination reactions of two groups on the benzene ring. |
| uses | mainly used in organic synthesis, as pesticides, dyes, pharmaceuticals, color developers, plastics, intermediates of synthetic fibers and auxiliaries used in organic synthesis, intermediates of pesticides, pharmaceuticals, dyes, color developers, plastics and synthetic fiber auxiliaries. used in dye, pesticide, medicine, color film developer, etc. used in organic synthesis, as dye, medicine, plastic, pesticide, color display agent and synthetic fiber auxiliary. |
| production method | in the industrial production of O-and p-nitrotoluene, M-nitrotoluene can be recovered at the same time. M-nitrotoluene was prepared from 3-nitro-4-aminotoluene in the following procedure with a yield of about 67%. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50:1072 mg/kg; Oral-mouse LD50: 330 mg/kg |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | flammable in case of open flame; 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 | carbon dioxide, foam, water mist, dry powder |
| Occupational Standard | TWA 29 mg/m3; Tel 58 mg/m3 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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