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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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Signal Word
Danger
Hazard Statements
Precautionary Statements
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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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
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
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.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 20(3), 365-375 (1993-04-01)
The developmental toxicities of eight aliphatic mononitriles were studied in Sprague-Dawley rats after inhalation exposure for 6 hr/day, during Days 6 to 20 of gestation. The range of exposure concentrations for acetonitrile was 900 to 1800 ppm; for propionitrile and
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
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