538264

Butyronitrile

≥99%

• Synonym(s): Propyl cyanide
• Linear Formula: CH₃CH₂CH₂CN
• CAS Number: 109-74-0
• Molecular Weight: 69.11
• Beilstein: 1361452
• EC Number: 203-700-6
• MDL number: MFCD00001968
• UNSPSC Code: 12352100
• PubChem Substance ID: 24878315
• NACRES: NA.22

Properties

• vapor density: 2.4 (vs air)
• Quality Level: 200
• vapor pressure: 23 mmHg ( 25 °C)
• Assay: ≥99%
• autoignition temp.: 910 °F
• refractive index: n20/D 1.384 (lit.)
• bp: 115-117 °C (lit.)
• mp: −112 °C (lit.)
• solubility: DMF: miscible(lit.); alcohol: miscible(lit.); diethyl ether: miscible(lit.); water: very slightly soluble(lit.)
• density: 0.794 g/mL at 25 °C (lit.)
• functional group: nitrile
• SMILES string: CCCC#N
• InChI: 1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
• InChI key: KVNRLNFWIYMESJ-UHFFFAOYSA-N

Description

General description

Butyronitrile (Propyl cyanide, Butane nitrile, BN) is a linear cyanide. Butyronitrile (BN) glasses were fabricated by vapor deposition. The relationship between molar volume and deposition temperature for BN glasses has been investigated. Its reaction with high-temperature water (Temperature = 330°C and Pressure range = 128-2600bar) has been reported to afford butanamide, butyric acid and ammonia. It undergoes selective reduction in the presence of LiOH promoted Co-based Raney-catalysts to afford n-butylamine.

Application

Butyronitrile is suitable for use in a study to investigate the effect of stereochemical factors on intervalence charge transfer (IT). It may be used in electrolyte composition in dye-sensitized solar cells.

Safety Information

• Pictograms: GHS02,GHS06
• Signal Word: Danger
• Hazard Statements: H225,H301 + H311,H330
• Precautionary Statements: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P304 + P340 + P310
• Hazard Classifications: Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Flam. Liq. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 71.6 °F
• Flash Point(C): 22 °C
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves