4-Bromomethyl-3-nitrobenzoic acid

CAS No.：55715-03-2

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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4-Bromomethyl-3-nitrobenzoic acid Basic information

Product Name:	4-Bromomethyl-3-nitrobenzoic acid
Synonyms:	Benzoic acid, 4-(bromomethyl)-3-nitro-;BNBA;4-Bromomethyl-3-nitrobenzoic acid≥ 98% (HPLC);4-Carboxy-2-nitrobenzylbromide;3-NITRO-4-BROMOMETHYLBENZOIC ACID;4-(BROMOMETHYL)-3-NITROBENZOIC ACID;4-CARBOXY-2-NITROBENZYLBROMID;4-(BROMOETHYL)-3-NITROBENZOIC ACID
CAS:	55715-03-2
MF:	C8H6BrNO4
MW:	260.04
EINECS:
Product Categories:	Carboxylic Acids;Chemical Synthesis;pharmacetical;Building Blocks;Carbonyl Compounds;Organic Building Blocks;C8;Carbonyl Compounds;Carboxylic Acids
Mol File:	55715-03-2.mol

4-Bromomethyl-3-nitrobenzoic acid Chemical Properties

Melting point	127-130 °C (lit.)
Boiling point	392°C
density	1.814
refractive index	1.6500 (estimate)
Fp	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

Hazard Codes	C
Risk Statements	34
Safety Statements	26-36/37/39-45-25
RIDADR	UN 3261 8/PG 2
WGK Germany	3
F	19
HazardClass	8
PackingGroup	III
HS Code	29163990

MSDS Information

Provider	Language
SigmaAldrich	English
ACROS	English
ALFA	English

4-Bromomethyl-3-nitrobenzoic acid Usage And Synthesis

Chemical Properties	pale yellow to pink crystalline powder
Uses	Photolabile Nbb handle employed in solid-phase peptide synthesis:
Uses	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.
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.

4-Bromomethyl-3-nitrobenzoic acid Preparation Products And Raw materials

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