4-(Bromomethyl)benzonitrile, 98%

Description

CAS: 17201-43-3 | C8H6BrN | 196.047 g/mol

4-(Bromomethyl)benzonitrile is used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile. It is also useful in the preparation of 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile by reaction with 2H-tetrazole in the presence of potassium hydroxide.

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)benzonitrile is used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile. It is also useful in the preparation of 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile by reaction with 2H-tetrazole in the presence of potassium hydroxide.

Solubility
Soluble in chloroform and methanol. Insoluble in water.

Notes
Moisture and light sensitive. Store in a cool place. Keep the container tightly closed in a dry and well-ventilated place. Incompatible with oxidizing agents, strong acids and bases.

Specifications

Chemical Identifiers

• CAS: 17201-43-3
• Molecular Formula: C8H6BrN
• Molecular Weight (g/mol): 196.047
• MDL Number: MFCD00001829
• InChI Key: UMLFTCYAQPPZER-UHFFFAOYSA-N
• Synonym: 4-cyanobenzyl bromide, 4-bromomethyl benzonitrile, p-cyanobenzyl bromide, alpha-bromo-p-tolunitrile, benzonitrile, 4-bromomethyl, 4-bromomethyl-benzonitrile, alpha-bromo-p-toluonitrile, p-bromomethyl benzonitrile, 4-cyano benzyl bromide, benzonitrile, p-bromomethyl
• PubChem CID: 86996
• IUPAC Name: 4-(bromomethyl)benzonitrile
• SMILES: C1=CC(=CC=C1CBr)C#N

• Melting Point: 113°C to 117°C
• Quantity: 5 g
• UN Number: UN2923
• Beilstein: 636717
• Solubility Information: Soluble in chloroform and methanol. Insoluble in water.
• Formula Weight: 196.05
• Percent Purity: 98%
• Chemical Name or Material: 4-(Bromomethyl)benzonitrile

Safety and Handling

Hazard Category	H314-H334-H335
Hazard Statement	GHS H Statement H301-H311-H331-H314-H318-H317 Toxic if swallowed. Toxic in contact with skin. Toxic if inhaled. Causes severe skin burns and eye damage. Causes serious eye damage. May cause an allergic skin reaction.
Precautionary Statement	P260-P264b-P271-P280-P285-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 SOLIDS, TOXIC, N.O.S.
EINECSNumber	241-246-0
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only