Methyl 4-nitrobenzoate
- CAS NO.：619-50-1
- Empirical Formula: C8H7NO4
- Molecular Weight: 181.15
- MDL number: MFCD00007350
- EINECS: 210-599-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-01-27 09:38:02
What is Methyl 4-nitrobenzoate?
Chemical properties
light yellow to yellow fine crystalline powder
The Uses of Methyl 4-nitrobenzoate
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.]
Properties of Methyl 4-nitrobenzoate
| 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) |
| Flash point: | 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 for Methyl 4-nitrobenzoate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for Methyl 4-nitrobenzoate
New Products
(E)-1-Ethoxyethene-2-boronic Acid Pinacol Ester 1,3-Diethyl-1,3-Diphenylurea 3-(4-morpholinophenylamino)-5-amino-1H-pyrazole-4-carbonitrile Methyl 2-methylquinoline-6-carboxylate 2,4-dihydroxybenzaldehyde 2-((4-morpholinophenylamino) (methylthio) methylene) malononitrile 1,3-Di Iodo Benzene Methyl 2-oxo-2,3-dihydrobenzo[d]oxazole-7-carboxylate 4-(2-Aminoethyl)-7-hydroxy-2H-chromoen-2-one 3-Hydroxy-4-nitrobromobenzene 2-Ethyl-1,4-diaminobenzene 2-Ethylhexyl 4-aminobenzoate Thio AcetamideRelated products of tetrahydrofuran
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