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Key Documents

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239933

Sigma-Aldrich

Butyronitrile

≥99%

Sinónimos:

Propyl cyanide

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About This Item

Fórmula lineal:
CH3CH2CH2CN
Número de CAS:
109-74-0
Peso molecular:
69.11
Beilstein/REAXYS Number:
1361452
EC Number:
203-700-6
MDL number:
MFCD00001968
UNSPSC Code:
12352100
PubChem Substance ID:
329752536

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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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

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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Certificados de análisis (COA)

Lot/Batch Number
14012JG
08604PU
07028DW
06615JR
04601CG

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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
G Grampp et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 58(6), 1219-1226 (2002-05-08)
Dimerization enthalpies and equilibrium constants have been determined for the radical anion of 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ), the radical cations of N,N,N',N'-tetramethyl-p-phenylenediamine, N,N-dimethyl-p-phenylenediamine, 2,3,5,6-tetramethyl-p-phenylenediamine, N,N,N',N'-tetraethyl-p-phenylenediamine, N,N-diethyl-p-phenylenediamine and N,N,N'-trimethyl-p-phenylenediamine. Neutral radicals investigated are 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and galvinoxyl. Solvent used was acetone, EtOH/Et2O-mixture (2:1
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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