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I15602

Sigma-Aldrich

Isobutyronitrile

99%

Synonym(s):
Isopropyl cyanide, 2-Methylpropionitrile, 2-Methylpropanenitrile
Linear Formula:
(CH3)2CHCN
CAS Number:
Molecular Weight:
69.11
Beilstein:
1340512
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

vapor density

2.38 (vs air)

vapor pressure

100 mmHg ( 54.4 °C)

assay

99%

form

liquid

autoignition temp.

899 °F

refractive index

n20/D 1.372 (lit.)

bp

107-108 °C (lit.)

mp

−72 °C (lit.)

density

0.770 g/mL at 20 °C (lit.)

SMILES string

CC(C)C#N

InChI

1S/C4H7N/c1-4(2)3-5/h4H,1-2H3

InChI key

LRDFRRGEGBBSRN-UHFFFAOYSA-N

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Related Categories

Pictograms

FlameSkull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

46.4 °F

Flash Point(C)

8 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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Zhe-Ming Gu et al.
Rapid communications in mass spectrometry : RCM, 20(19), 2969-2972 (2006-09-05)
Some compounds readily form [M+46]+ adduct ions during positive ion electrospray ionization mass spectrometry ((+)ESI-MS) analysis. These [M+46]+ ions were characterized as [M+CH3CH2NH2+H]+ by accurate mass determination. Ethylamine involved in the adduct was proposed to be the reduction product of
Dimitry Y Sorokin et al.
Applied and environmental microbiology, 73(17), 5574-5579 (2007-07-24)
The utilization of isobutyronitrile (iBN) as a C and N source under haloalkaline conditions by microbial communities from soda lake sediments and soda soils was studied. In both cases, a consortium consisting of two different bacterial species capable of the
Masanari Tsujimura et al.
Journal of the American Chemical Society, 125(38), 11532-11538 (2003-09-18)
Nitrile hydratase (NHase) is a non-heme iron or non-corrin cobalt enzyme having two post-translationally modified ligand residues, cysteine-sulfinic acid (alphaCys112-SO(2)H) and -sulfenic acid (alphaCys114-SOH). We studied the interaction between Fe-type NHase and isobutyronitrile (iso-BN) which had been reported as a
Dimitry Y Sorokin et al.
FEMS microbiology letters, 288(2), 235-240 (2008-09-20)
Enrichment with isobutyronitrile as the sole carbon, energy and nitrogen source at pH 10, using soda solonchak soils as an inoculum, resulted in the selection of a binary culture consisting of two different spore-forming phenotypes. One of them, strain ANL-iso4
M Nieder et al.
Archives of biochemistry and biophysics, 240(1), 121-127 (1985-07-01)
Pure bromoperoxidase from the marine alga, Penicillus capitatus, converts alpha-amino acids and peptides to the corresponding decarboxylated nitriles and aldehydes in the presence of hydrogen peroxide and bromide ion. Thus, both valine and valylvaline are converted to isobutyronitrile and isobutyraldehyde

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