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: 2023-08-29 17:14:30

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.