| Identification | More | [Name]
Methyl 4-nitrobenzoate | [CAS]
619-50-1 | [Synonyms]
4-NITROBENZOIC ACID METHYL ESTER
METHYL 4-NITROBENZOATE
METHYL P-NITROBENZOATE
RARECHEM AL BF 0193
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
Methyl para-nitrobenzoate
p-carbomethoxynitrobenzene
p-Nitrobenzoic acid methyl ester
p-nitrobenzoicacidmethylester
p-nitro-benzoicacimethylester
Methyl 4-nitrobenzoate/4-Nitrobenzoic acid methyl ester
Methyl DL-p-Hydroxyphenylglycine
METHYL 4-NITROBENZOATE, 99+%
BENZOICACID,PARA-NITRO-,METHYLESTER
4-Nitrobenzoic acid methyl | [EINECS(EC#)]
210-599-2 | [Molecular Formula]
C8H7NO4 | [MDL Number]
MFCD00007350 | [Molecular Weight]
181.15 | [MOL File]
619-50-1.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow to yellow fine crystalline powder | [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 | [InChI]
1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3 | [InChIKey]
YOJAHJGBFDPSDI-UHFFFAOYSA-N | [SMILES]
COC(=O)c1ccc(cc1)[N+]([O-])=O | [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) |
| Hazard Information | Back Directory | [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.] |
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