Methyl 3-nitrobenzoate
- CAS NO.：618-95-1
- Empirical Formula: C8H7NO4
- Molecular Weight: 181.15
- MDL number: MFCD00007250
- EINECS: 210-573-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is Methyl 3-nitrobenzoate?
Chemical properties
beige crystalline powder
The Uses of Methyl 3-nitrobenzoate
Methyl 3-nitrobenzoate was used in the preparation of iodoarene.
Synthesis Reference(s)
Synthetic Communications, 22, p. 1851, 1992 DOI: 10.1080/00397919208021316
Chemical and Pharmaceutical Bulletin, 36, p. 481, 1988 DOI: 10.1248/cpb.36.481
Purification Methods
Crystallise the benzoate from MeOH (1g/mL). [Beilstein 9 H 378, 9 I 153, 9 II 248, 9 III 1493, 9 IV 1056.]
Properties of Methyl 3-nitrobenzoate
| Melting point: | 78-80 °C (lit.) |
| Boiling point: | 279 °C (lit.) |
| Density | 1.4283 (rough estimate) |
| refractive index | 1.5468 (estimate) |
| Flash point: | 279°C |
| storage temp. | Sealed in dry,Room Temperature |
| form | Crystalline Powder |
| color | Beige |
| Water Solubility | insoluble |
| BRN | 392449 |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| CAS DataBase Reference | 618-95-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-O2N-C6H4-COOCH3(618-95-1) |
| EPA Substance Registry System | Benzoic acid, 3-nitro-, methyl ester (618-95-1) |
Safety information for Methyl 3-nitrobenzoate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Methyl 3-nitrobenzoate
| InChIKey | AXLYJLKKPUICKV-UHFFFAOYSA-N |
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