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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/REAXYS Number:
1340512
EC Number:
201-147-5
MDL number:
MFCD00001873
UNSPSC Code:
12352100
PubChem Substance ID:
24878313
NACRES:
NA.22

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.[1] It is widely used as a solvent for electrochemical analyses. IBN can be prepared from amino acids, via anaerobic degradation.[1] It undergoes oxidative dehydrogenation in the presence of an iron phosphate catalyst to afford methacrylonitrile, acetone, carbon oxides and traces of cyanic acid.[2]

pictograms

FlameSkull and crossbones
GHS02,GHS06

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Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

46.4 °F - closed cup

flash_point_c

8 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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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)
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
Rhenium carbonyl phosphine dinitrogen complexes (. eta. 5-C5Me5) Re (CO)(PR3)(N2)
Klahn A, et al.
Organometallics, 8.1, 198-206 (1989)
Natalia Oleszko-Torbus et al.
Materials (Basel, Switzerland), 13(12) (2020-06-18)
In this work, we studied the stability of matrices with temperature-dependent solubility and their interactions with water at physiological temperature for their application in cell culture in vitro. Gradient copolymers of 2-isopropyl- with 2-n-propyl-2-oxazoline (P(iPrOx-nPrOx)) were used to prepare the
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