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Merck
CN

538248

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24878313
EC Number:
201-147-5
Beilstein/REAXYS Number:
1340512
MDL number:
MFCD00001873
Assay:
99.6%

Key Documents

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InChI key

LRDFRRGEGBBSRN-UHFFFAOYSA-N

InChI

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

SMILES string

CC(C)C#N

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.)

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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

signalword

Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

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

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)
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
Rhenium carbonyl phosphine dinitrogen complexes (. eta. 5-C5Me5) Re (CO)(PR3)(N2)
Klahn A, et al.
Organometallics, 8.1, 198-206 (1989)
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
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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