239933
Butyronitrile
≥99%
Synonym(s):
Propyl cyanide
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About This Item
Linear Formula:
CH3CH2CH2CN
CAS Number:
Molecular Weight:
69.11
EC Number:
203-700-6
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1361452
MDL number:
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.)
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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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
71.6 °F
flash_point_c
22 °C
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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M S Nawaz et al.
Applied and environmental microbiology, 58(1), 27-31 (1992-01-01)
A strain of Klebsiella pneumoniae that used aliphatic nitriles as the sole source of nitrogen was adapted to benzonitrile as the sole source of carbon and nitrogen. Gas chromatographic and mass spectral analyses of culture filtrates indicated that K. pneumoniae
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
J Raj et al.
Applied microbiology and biotechnology, 74(3), 535-539 (2007-01-12)
Butyramide is an important chemical commodity, which is used for the synthesis of hydroxamic acids and electrorheological fluids and for the preparation of beta-amodoorganotin compounds. The nitrile hydratase (Nhase) of Rhodococcus rhodochrous PA-34 catalyzed the conversion of butyronitrile to butyramide.