20760

Butyronitrile

purum, ≥99.0% (GC)

• Synonym(s): Propyl cyanide
• Linear Formula: CH₃CH₂CH₂CN
• CAS Number: 109-74-0
• Molecular Weight: 69.11
• Beilstein/REAXYS Number: 1361452
• EC Number: 203-700-6
• MDL number: MFCD00001968
• UNSPSC Code: 12352100
• PubChem Substance ID: 329752020
• NACRES: NA.22

Properties

• vapor density: 2.4 (vs air)
• Quality Level: 100
• vapor pressure: 23 mmHg ( 25 °C)
• grade: purum
• assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 910 °F
• refractive index: n20/D 1.384 (lit.); n20/D 1.384
• 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

Molar volumes of vapor-deposited butyronitrile glasses have been studied as a function of deposition temperature. Reactions of butyronitrile with high-temperature water at 330°C and pressures ranging from 128 to 2600bar were investigated.

Application

Butyronitrile was used in electrolyte composition in dye-sensitized solar cells†.

Safety Information

• pictograms: GHS02,GHS06
• signalword: Danger
• hcodes: H225,H301 + H311,H330
• pcodes: 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: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 71.6 °F
• flash_point_c: 22 °C
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter