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538264

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)

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

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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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV2739
MKCQ5647
SHBL0029
SHBJ8592
SHBG4233V

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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)
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
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)
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