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Merck
CN

538248

Sigma-Aldrich

Isobutyronitrile

99.6%

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:
24878313
NACRES:
NA.22

Key Documents

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vapor density

2.38 (vs air)

vapor pressure

100 mmHg ( 54.4 °C)

Assay

99.6%

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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General description

Isobutyronitrile (IBN) is an aliphatic nitrile. It is widely used as a solvent for electrochemical analyses. IBN can be prepared from amino acids, via anaerobic degradation. It undergoes oxidative dehydrogenation in the presence of an iron phosphate catalyst to afford methacrylonitrile, acetone, carbon oxides and traces of cyanic acid.

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCK3333
MKBW5390V
03611JH
14909BE
12109BE

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Oxidative dehydrogenation of isobutyronitrile to methacrylonitrile over iron phosphate catalyst
Muneyama E, et al.
Applied Catalysis A: General, 116.1-2, 165-177 (1994)
Rhenium carbonyl phosphine dinitrogen complexes (. eta. 5-C5Me5) Re (CO)(PR3)(N2)
Klahn A, et al.
Organometallics, 8.1, 198-206 (1989)
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
Wojciech Wałach et al.
Polymers, 12(2) (2020-02-07)
Poly(2-oxazoline) (POx) matrices in the form of non-woven fibrous mats and three-dimensional moulds were obtained by electrospinning and fused deposition modelling (FDM), respectively. To obtain these materials, poly(2-isopropyl-2-oxazoline) (PiPrOx) and gradient copolymers of 2-isopropyl- with 2-n-propyl-2-oxazoline (P(iPrOx-nPrOx)), with relatively low
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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