Skip to Content
Merck
CN

Key Documents

View All Documentation

538248

Isobutyronitrile

99.6%

Synonym(s):

2-Methylpropanenitrile, 2-Methylpropionitrile, Isopropyl cyanide

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

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
eCl@ss:
32039090
Assay:
99.6%
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

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

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 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 (personal protective equipment)

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library