260088

3-Bromophenylacetonitrile

98%

• Synonym(s): 3-Bromobenzyl cyanide
• Linear Formula: BrC₆H₄CH₂CN
• CAS Number: 31938-07-5
• Molecular Weight: 196.04
• EC Number: 250-867-6
• MDL number: MFCD00001906
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855720
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• form: solid
• bp: 145-147 °C/10 mmHg (lit.)
• mp: 27-28 °C (lit.)
• functional group: bromo; nitrile
• SMILES string: Brc1cccc(CC#N)c1
• InChI: 1S/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
• InChI key: UUZYFBXKWIQKTF-UHFFFAOYSA-N

Description

Application

3-Bromophenylacetonitrile has been used in the synthesis of:

• a series of aminoethylbiphenyls, novel 5-HT₇ receptor ligands
• 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: >235.4 °F - closed cup
• flash_point_c: > 113 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves