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Sigma-Aldrich

Butyronitrile

≥99%

Synonym(s):

Propyl cyanide

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About This Item

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

vapor density

2.4 (vs air)

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.)

SMILES string

CCCC#N

InChI

1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3

InChI key

KVNRLNFWIYMESJ-UHFFFAOYSA-N

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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.

Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

Hazard Statements

H225,H301 + H311,H330

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Tailoring Raney-catalysts for the selective hydrogenation of butyronitrile to n-butylamine.
Chojecki A, et al.
J. Catal., 245(1), 237-248 (2007)
Effect of pressure on the rate of butyronitrile hydrolysis in high-temperature water.
Iyer SD and Klein MT.
Journal of Supercritical Fluids, 10(3), 191-200 (1997)
Stereochemical influences on intervalence charge transfer in homodinuclear complexes of ruthenium.
D M D'Alessandro et al.
Inorganic chemistry, 40(26), 6841-6844 (2001-12-12)
Hideyuki Nakayama et al.
The journal of physical chemistry. B, 117(35), 10311-10319 (2013-08-08)
Molar volumes (Vm) of vapor-deposited ethylcyclohexane (ECH) and butyronitrile (BN, sometimes called butanenitrile) glasses were studied as a function of deposition temperature (Td). ECH glasses deposited at Td sufficiently below their glass-transition temperature (Tg) exhibited changes in Vm on heating
Frédéric Sauvage et al.
Journal of the American Chemical Society, 133(33), 13103-13109 (2011-06-28)
We elaborated a new electrolyte composition, based on butyronitrile solvent, that exhibits low volatility for use in dye-sensitized solar cells. The strong point of this new class of electrolyte is that it combines high efficiency and excellent stability properties, while
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