2-Nitrobenzyl bromide, 98+%

Description

CAS: 3958-60-9 | C7H6BrNO2 | 216.034 g/mol

2-Nitrobenzyl bromide is used in the preparation of S-2-nitrobenzyl-cysteine by reaction with L-cysteine. It is also used for the introduction of the 2-nitrobenzyl protecting group in organic synthesis. It plays an important role in the production of expectorant agent. Further, it is employed for caging unprotected cysteine-containing or thiophosphorylated peptides in aqueous solution. In addition to this, it is used in the preparation of (R)- and (S)-3-amino-3,4-dihydro-1H-quinolin-2-one.

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
2-Nitrobenzyl bromide is used in the preparation of S-2-nitrobenzyl-cysteine by reaction with L-cysteine. It is also used for the introduction of the 2-nitrobenzyl protecting group in organic synthesis. It plays an important role in the production of expectorant agent. Further, it is employed for caging unprotected cysteine-containing or thiophosphorylated peptides in aqueous solution. In addition to this, it is used in the preparation of (R)- and (S)-3-amino-3,4-dihydro-1H-quinolin-2-one.

Solubility
Insoluble in water.

Notes
Moisture sensitive. Incompatible with alcohols, bases, amines and oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 3958-60-9
• Molecular Formula: C7H6BrNO2
• Molecular Weight (g/mol): 216.034
• MDL Number: MFCD00007184
• InChI Key: HXBMIQJOSHZCFX-UHFFFAOYSA-N
• Synonym: 2-nitrobenzyl bromide, 1-bromomethyl-2-nitrobenzene, o-nitrobenzyl bromide, alpha-bromo-2-nitrotoluene, 2-bromomethyl nitrobenzene, 1-bromomethyl-2-nitro-benzene, benzene, 1-bromomethyl-2-nitro, ccris 7966, 2-nitro benzyl bromide, 2-nitro-benzyl bromide
• PubChem CID: 77569
• IUPAC Name: 1-(bromomethyl)-2-nitrobenzene
• SMILES: C1=CC=C(C(=C1)CBr)[N+](=O)[O-]

• Melting Point: 45°C to 48°C
• Flash Point: >110°C (230°F)
• Quantity: 100 g
• UN Number: UN3261
• Beilstein: 638991
• Solubility Information: Insoluble in water.
• Formula Weight: 216.04
• Percent Purity: ≥98%
• Chemical Name or Material: 2-Nitrobenzyl bromide

Safety and Handling

Hazard Category	H314
Hazard Statement	GHS H Statement H314-H318-H317 Causes severe skin burns and eye damage. Causes serious eye damage. May cause an allergic skin reaction.
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: II; Proper Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
EINECSNumber	223-558-9
TSCA	No
Recommended Storage	Keep cold

SDS

RUO – Research Use Only