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About This Item
Linear Formula:
CH3CH2CH2CN
CAS Number:
Molecular Weight:
69.11
Beilstein:
1361452
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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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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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.
A M Saillenfait et al.
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
Anthony Harriman et al.
Physical chemistry chemical physics : PCCP, 9(8), 944-948 (2007-02-16)
The luminescence properties of ruthenium(ii) tris(2,2'-bipyridine) have been recorded in butyronitrile solution and in a transparent KBr disk over a reasonable temperature range. In solution, spectral curve fitting routines indicate that emission arises solely from an ensemble of triplet states
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