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20760

Sigma-Aldrich

Butyronitrile

purum, ≥99.0% (GC)

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:
329752020
NACRES:
NA.22

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.)

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

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†.

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
BCCL3014
BCCL1811
BCCH2850
BCCD7339
BCCC6410

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Stéphanie Claudinot et al.
Nature communications, 11(1), 5645-5645 (2020-11-08)
The formation of hair follicles, a landmark of mammals, requires complex mesenchymal-epithelial interactions and it is commonly believed that embryonic epidermal cells are the only cells that can respond to hair follicle morphogenetic signals in vivo. Here, we demonstrate that
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)
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
Mahadevappa Naganathappa et al.
Journal of molecular modeling, 17(7), 1695-1705 (2010-11-03)
We report theoretical infrared and electronic absorption spectra of gauche and anti conformers of n-butyronitrile, their ions and 2-methylpropanenitrile isomer of n-butyronitrile. The coupled cluster theory (CCSD) and second order Møller-Plesset perturbation (MP2) theory with TZVP basis set are used
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