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4-Bromomethyl-3-nitrobenzoic acid

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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:
205-516-1
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
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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)
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)
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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
19
HazardClass 
8
PackingGroup 
III
HS Code 
29163990

MSDS

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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.

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