4-Nitrobenzyl bromide, 97+%

Description

CAS: 100-11-8 | C7H6BrNO2 | 216.03 g/mol

4-Nitrobenzyl bromide is used in the synthesis of di and tri-substituted azoles. It is also used in the preparation of N6-Benzyladenosine-5’-uronamides as selective A3 adenosine agonists.

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-Nitrobenzyl bromide is used in the synthesis of di and tri-substituted azoles. It is also used in the preparation of N6-Benzyladenosine-5’-uronamides as selective A3 adenosine agonists.

Solubility
It hydrolyzes in water. Soluble in alcohol and ether.

Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents, amines, bases and alcohols.

Specifications

Chemical Identifiers

• CAS: 100-11-8
• Molecular Formula: C7H6BrNO2
• Molecular Weight (g/mol): 216.03
• MDL Number: MFCD00007373
• InChI Key: VOLRSQPSJGXRNJ-UHFFFAOYSA-N
• Synonym: 4-nitrobenzyl bromide, 1-bromomethyl-4-nitrobenzene, p-nitrobenzyl bromide, nitrobenzyl bromide, alpha-bromo-4-nitrotoluene, benzene, 1-bromomethyl-4-nitro, p-bromomethyl nitrobenzene, 4-bromomethyl nitrobenzene, alpha-bromo-p-nitrotoluene, 4-nitrobenzylbromide
• PubChem CID: 66011
• ChEBI: CHEBI:62822
• IUPAC Name: 1-(bromomethyl)-4-nitrobenzene
• SMILES: [O-][N+](=O)C1=CC=C(CBr)C=C1

• Melting Point: 97°C to 101°C
• Quantity: 500 g
• UN Number: UN3261
• Beilstein: 742796
• Solubility Information: It hydrolyzes in water. Soluble in alcohol and ether.
• Formula Weight: 216.04
• Percent Purity: ≥97%
• Chemical Name or Material: 4-Nitrobenzyl bromide

Safety and Handling

Hazard Category	H314-H318
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: II; Proper Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
EINECSNumber	202-820-6
RTECSNumber	XS7967000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only