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I15602

Sigma-Aldrich

Isobutyronitrile

99%

Synonym(s):

2-Methylpropanenitrile, 2-Methylpropionitrile, Isopropyl cyanide

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About This Item

Linear Formula:
(CH3)2CHCN
CAS Number:
78-82-0
Molecular Weight:
69.11
Beilstein:
1340512
EC Number:
201-147-5
MDL number:
MFCD00001873
UNSPSC Code:
12352100
PubChem Substance ID:
24895934
NACRES:
NA.22

vapor density

2.38 (vs air)

Quality Level

300

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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Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

Hazard Statements

H225,H300 + H310 + H330

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 - closed cup

Flash Point(C)

8 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCK6351
MKCK6350
MKCJ3385
MKBJ6923V
02507CJ

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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
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
Subhash C Mojumdar et al.
The Journal of organic chemistry, 69(9), 2929-2936 (2004-04-24)
The rate constants, k(inh), for reaction of stilbazulenyl-bis-nitrone (STAZN, 1) with peroxyl radicals and the number of radicals trapped, n, are compared with those of phenolic antioxidants 2,2,5,7,8-pentamethyl-6-hydroxychroman (PMHC, 4a), 2,5,7,8-tetramethyl-6-hydroxychroman-2-carboxylic acid (Trolox, 4b), and 2,6-di-tert-butyl-4-methoxyphenol (DBHA, 5). The behavior
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
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