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About This Item
Linear Formula:
CH3CH2CH2CN
CAS Number:
Molecular Weight:
69.11
Beilstein/REAXYS Number:
1361452
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Recommended Products
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_germany
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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E G DeMaster et al.
Biochemical pharmacology, 46(1), 117-123 (1993-07-06)
n-Butyraldoxime (n-BO) is known to cause a disulfiram/ethanol-like reaction in humans, a manifestation of the inhibition of hepatic aldehyde dehydrogenase (AIDH). As with a number of other in vivo inhibitors of AIDH, n-BO does not inhibit purified AIDH in vitro
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
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 M Samet et al.
Analytical biochemistry, 182(1), 32-36 (1989-10-01)
An HPLC method for the separation and analysis of arachidonic acid and eight phospholipid classes is described: phosphatidylglycerol, phosphatidylinositol, cardiolipin, phosphatidylserine, phosphatidylethanolamine, phosphatidylcholine, sphingomyelin, and 2-lysophosphatidylcholine. The separation is carried out at 60 degrees C on 2 cyanopropyl columns using
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