4-Bromomethyl-3-nitrobenzoic acid, 97%

Description

CAS: 55715-03-2 | C8H6BrNO4 | 260.043 g/mol

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Soluble in DMF and dichloromethane. Insoluble in water.

Notes
Store in a cool, dry conditions, in well sealed conditions. Store away from oxidizing agents, bases.

Specifications

Chemical Identifiers

• CAS: 55715-03-2
• Molecular Formula: C8H6BrNO4
• Molecular Weight (g/mol): 260.043
• MDL Number: MFCD00216575
• InChI Key: QMAHVAFURJBOFV-UHFFFAOYSA-N
• Synonym: 4-bromomethyl-3-nitrobenzoic acid, 4-bromomethyl-3-nitrobenzoicacid, benzoic acid, 4-bromomethyl-3-nitro, 3-nitro-4-bromomethylbenzoic acid, bnba, acmc-1auor, ksc495i9f, 3-nitro-4-bromomethyl benzoic acid, 4-bromomethyl-3-nitro benzoic acid
• PubChem CID: 132386
• SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr

• Melting Point: 128°C to 133°C
• Quantity: 1 g
• UN Number: UN3261
• Solubility Information: Soluble in DMF and dichloromethane. Insoluble in water.
• Formula Weight: 260.05
• Percent Purity: 97%
• Chemical Name or Material: 4-Bromomethyl-3-nitrobenzoic acid

Safety and Handling

Hazard Category	H314
Hazard Statement	GHS H Statement H314-H318 Causes severe skin burns and eye damage. Causes serious eye damage.
Precautionary Statement	P260-P264b-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P501c
DOTInformation	Transport Hazard Class: 8; Packing Group: III; Proper Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only