2-(Bromomethyl)benzonitrile , 98% , 22115-41-9

Synonym(s):
α-Bromo-o-tolunitrile;2-Cyanobenzyl bromide

CAS NO.：22115-41-9

Empirical Formula: C8H6BrN

Molecular Weight: 196.04

MDL number: MFCD00001794

EINECS: 628-473-4

PRODUCT Properties

• Melting point: 72-74 °C(lit.)
• Boiling point: 111 °C / 1.5mmHg
• Density: 1.5466 (rough estimate)
• refractive index: 1.6550 (estimate)
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility: Slightly soluble in water
• solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• form: Crystalline Powder or Chunks
• color: White to gray-brown
• BRN: 742605
• InChI: InChI=1S/C8H6BrN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2
• InChIKey: QGXNHCXKWFNKCG-UHFFFAOYSA-N
• SMILES: C(#N)C1=CC=CC=C1CBr
• CAS DataBase Reference: 22115-41-9(CAS DataBase Reference)

Description and Uses

2-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)meth-yl]benzonitrile. It undergoes base-promoted condensation reaction with homophthalic anhydride to yield 6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one.

2-(Bromomethyl)benzonitrile is an intermediate in the synthesis of Alogliptin, an oral antihyperglycemic agent that is a selective inhibitor of the enzyme dipeptidyl peptidase-4 (DPP-4). Antidiabetic agent.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package.

Safety

• Symbol(GHS): GHS05
• Signal word: Danger
• Hazard statements: H314
• Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
• Hazard Codes: C
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45-28A
• RIDADR: UN 3261 8/PG 2
• WGK Germany: 3
• F: 10-19-21
• Hazard Note: Corrosive
• HazardClass: 8
• PackingGroup: II
• HS Code: 29269090
• Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)