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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/REAXYS Number:
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

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Flam. Liq. 2

wgk_germany

WGK 1

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD7339
BCCC6410
BCCB7472
BCBZ2900
BCBS6394V

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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)
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
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
C C Willhite
Clinical toxicology, 18(8), 991-1003 (1981-08-01)
Male CD-1 mice were exposed for 60 min to toxic concentrations of acetonitrile, propionitrile, or n-butyronitrile and were maintained for the following 14 d. The LC50 values for acetonitrile, propionitrile, and n-butyronitrile were 2,693, 163, and 249 ppm, respectively. Pretreatment
T D Thomas et al.
Physical chemistry chemical physics : PCCP, 9(6), 719-724 (2007-02-03)
Experimental evidence for an effect of molecular conformation on inner-shell ionization energies has been observed for the first time. Examples are seen in the carbon 1s spectra of butyronitrile, 1-fluoropropane, and propanal, and other similar molecules. At room temperature these
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