| Methyl 4-nitrobenzoate Basic information |
| Product Name: | Methyl 4-nitrobenzoate |
| Synonyms: | p-carbomethoxynitrobenzene;p-Nitrobenzoic acid methyl ester;METHYL 4-NITROBENZOATE;4-nitro-benzoicacimethylester;Benzoic acid, 4-nitro-, methyl ester;Benzoic acid, p-nitro-, methyl ester;Benzoicacid,4-nitro-,methylester;Methyl ester of 4-Nitrobenzoic acid |
| CAS: | 619-50-1 |
| MF: | C8H7NO4 |
| MW: | 181.15 |
| EINECS: | 210-599-2 |
| Product Categories: | Building Blocks;C8 to C9;Aromatic Esters;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;C8 to C9;Carbonyl Compounds;Esters |
| Mol File: | 619-50-1.mol |
| Methyl 4-nitrobenzoate Chemical Properties |
| Melting point | 94-96 °C (lit.) 94-96 °C |
| Boiling point | 314.24°C (rough estimate) |
| density | 1.4283 (rough estimate) |
| refractive index | 1.5468 (estimate) |
| Fp | 94-96°C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Solubility in methanol is almost transparent. |
| form | powder to crystal |
| color | Light orange to Yellow to Green |
| BRN | 1912198 |
| CAS DataBase Reference | 619-50-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Nitrobenzoic acid methyl ester(619-50-1) |
| EPA Substance Registry System | Methyl-4-nitrobenzoate (619-50-1) |
| Safety Information |
| Safety Statements | 22-24/25 |
| WGK Germany | 3 |
| RTECS | DH5775000 |
| TSCA | Yes |
| HS Code | 29163900 |
| MSDS Information |
| Provider | Language |
|---|---|
| Methyl 4-nitrobenzoate | English |
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| Methyl 4-nitrobenzoate Usage And Synthesis |
| Chemical Properties | light yellow to yellow fine crystalline powder |
| Uses | It is employed in the biochemical characterization of NfsA, the Escherichia coli major nitroreductase exhibiting a high amino acid sequence homology to Frp, a Vibrio harveyi flavin oxidoreductase. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 60, p. 1466, 1995 DOI: 10.1021/jo00110a059 |
| Purification Methods | Dissolve the benzoate in diethyl ether, then wash it with aqueous alkali; the ether is evaporated and the ester is recrystallised from EtOH. [Beilstein 9 H 390, 9 IV 1074.] |
| Methyl 4-nitrobenzoate Preparation Products And Raw materials |
| Raw materials | p-Nitrobenzoic acid |
| Preparation Products | Methyl 3-methyl-4-nitrobenzoate-->METHYL 2-CHLORO-4-NITROBENZOATE-->METHYL 2-BROMO-4-NITROBENZOATE-->ISOPROPYL 4-AMINOBENZOATE |
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