3-Nitrobenzoic acid methyl ester
Methyl 3-nitrobenzoate
CAS: 618-95-1
Molecular Formula: C8H7NO4
3-Nitrobenzoic acid methyl ester - Names and Identifiers
| Name | Methyl 3-nitrobenzoate |
| Synonyms | AKOS B029800 RARECHEM AL BF 0189 Methyl 3-nitrobenzoate 4-Methyl-3-nitrobenzoate Methyl meta-nitrobenzoate Methyl 3-Nitrobenzoic Acid 3-nitro-benzoicacimethylester Benzoicacid,3-nitro-,methylester 3-Nitrobenzoic acid methyl ester m-Nitrobenzoic acid, methyl ester Benzoic acid, m-nitro-, methyl ester Benzoic acid, 3-nitro-, methyl ester |
| CAS | 618-95-1 |
| EINECS | 210-573-0 |
| InChI | InChI=1/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3 |
| InChIKey | AXLYJLKKPUICKV-UHFFFAOYSA-N |
3-Nitrobenzoic acid methyl ester - Physico-chemical Properties
| Molecular Formula | C8H7NO4 |
| Molar Mass | 181.15 |
| Density | 1.4283 (rough estimate) |
| Melting Point | 78-80 °C (lit.) |
| Boling Point | 279 °C (lit.) |
| Flash Point | 279°C |
| Water Solubility | insoluble |
| Vapor Presure | 0.00293mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | Beige |
| BRN | 392449 |
| Storage Condition | Sealed in dry,Room Temperature |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Refractive Index | 1.5468 (estimate) |
| Physical and Chemical Properties | White needle-like crystals. The melting point of 78 deg C, boiling point of 279 deg C. Slightly soluble in ethanol, ether, methanol, insoluble in water. |
| Use | Used as an intermediate in organic synthesis |
3-Nitrobenzoic acid methyl ester - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29163900 |
3-Nitrobenzoic acid methyl ester - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | for organic synthesis. used as intermediate in organic synthesis |
| production method | is obtained by nitration of methyl benzoate. The concentrated sulfuric acid was added into the dry reaction Pan, cooled to 0-10 °c, methyl benzoate was slowly added, and then the mixture of fuming nitric acid and concentrated sulfuric acid was added dropwise, and the temperature was controlled to 5-15 °c. After addition, the reaction was carried out at 15 °c for 1H. Cooling, adding ice precipitation of M-nitrobenzoic acid methyl ester. After filtration, the oily substance was washed with alcohol and washed with water to obtain a finished product. The yield was 80%. |
Last Update：2024-04-09 20:52:54
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3-Nitrobenzoic acid methyl ester
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