4-Bromomethyl-3-nitrobenzoic acid

CAS NO.：55715-03-2
Empirical Formula: C8H6BrNO4
Molecular Weight: 260.04
MDL number: MFCD00216575
EINECS: 205-516-1
SAFETY DATA SHEET (SDS)
Update Date: 2024-04-23 13:02:50

What is 4-Bromomethyl-3-nitrobenzoic acid?

Chemical properties

pale yellow to pink crystalline powder

The Uses of 4-Bromomethyl-3-nitrobenzoic acid

4-Bromomethyl-3-nitrobenzoic acid is used as a reactant in the synthesis of 4-bromomethyl-3-nitrobenzoic acid succinimide ester, 4-((2-(hydroxymethyl)phenyl amino)methyl)-3-nitrobenzoic acid, 4-(2-hydroxyethylmercaptylmethyl)-3-nitrobenzoic acid. It is also used as a thiol photo-deprotection reagent, a starting material in the synthesis of 2H-indazole based library using parallel solution-phase methods.

The Uses of 4-Bromomethyl-3-nitrobenzoic acid

Photolabile Nbb handle employed in solid-phase peptide synthesis:

General Description

4-Bromomethyl-3-nitrobenzoic acid (BNBA) is a benzoic acid derivative. It has been synthesized by the nitration of 4-bromomethylbenzoic acid using fuming nitric acid. It participates in the synthesis of 3,4-dihydro-2(1H)-quinazolinones and 3,4-dihydro-1H-quinazolin-2-thiones.

Properties of 4-Bromomethyl-3-nitrobenzoic acid

Melting point:	127-130 °C (lit.)
Boiling point:	392°C
Density	1.814
refractive index	1.6500 (estimate)
Flash point:	191°C
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
solubility	DMF: soluble(lit.)
pka	3.42±0.10(Predicted)
Water Solubility	Soluble in DMF and dichloromethane. Insoluble in water.
BRN	1970939
CAS DataBase Reference	55715-03-2(CAS DataBase Reference)

Safety information for 4-Bromomethyl-3-nitrobenzoic acid

Signal word	Danger
Pictogram(s)	Corrosion Corrosives GHS05
GHS Hazard Statements	H314:Skin corrosion/irritation
Precautionary Statement Codes	P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.