109231

3-Bromopropionitrile

≥98.0% (GC)

• Synonym(s): 3-Bromopropanenitrile
• Linear Formula: BrCH₂CH₂CN
• CAS Number: 2417-90-5
• Molecular Weight: 133.97
• Beilstein/REAXYS Number: 1738565
• EC Number: 219-332-4
• MDL number: MFCD00001951
• UNSPSC Code: 12352100
• PubChem Substance ID: 24846898
• NACRES: NA.22

Properties

• assay: ≥98.0% (GC)
• refractive index: n20/D 1.481 (lit.)
• bp: 76-78 °C/10 mmHg (lit.)
• density: 1.615 g/mL at 25 °C (lit.)
• SMILES string: BrCCC#N
• InChI: 1S/C3H4BrN/c4-2-1-3-5/h1-2H2
• InChI key: CQZIEDXCLQOOEH-UHFFFAOYSA-N

Description

Application

3-Bromopropionitrile was used as the initiator in the atom transfer radical polymerization of acrylonitrile. 3-Bromopropionitrile was used in coupling reactions of a number of aromatic and heteroaromatic phenols with alkyl, acyl or benzoyl halides in acetonitrile with cesium fluoride-Celite.

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H300
• pcodes: P264 - P270 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 2 Oral
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 206.6 °F - closed cup
• flash_point_c: 97 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter