B83207

5-Bromovaleronitrile

98%

• Linear Formula: Br(CH₂)₄CN
• CAS Number: 5414-21-1
• Molecular Weight: 162.03
• Beilstein: 1742080
• EC Number: 226-505-8
• MDL number: MFCD00001976
• UNSPSC Code: 12352100
• PubChem Substance ID: 24891939
• NACRES: NA.22

Properties

• Assay: 98%
• form: liquid
• refractive index: n20/D 1.478 (lit.)
• density: 1.388 g/mL at 25 °C (lit.)
• SMILES string: BrCCCCC#N
• InChI: 1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2
• InChI key: NWWWGAKVHCSAEU-UHFFFAOYSA-N

Description

Application

5-Bromovaleronitrile can be used as a reactant to prepare:

• A key intermediate benzyl(methyl)amino)pentanenitrile, which is used in the synthesis of N-methylcadaverine.
• 1-cyanobutyl-3-alkylbenzimidazolium bromide salt by reacting with various N-alkylbenzimidazoles.
• Tridecanenitrile by Ni-catalyzed cross-coupling reaction with dioctylzinc in the presence of tetraene and MgBr₂.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 230.0 °F - closed cup
• Flash Point(C): 110 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves