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Sigma-Aldrich

Dimethylmalononitrile

97%

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About This Item

Linear Formula:
(CH3)2C(CN)2
CAS Number:
7321-55-3
Molecular Weight:
94.11
MDL number:
MFCD01321253
UNSPSC Code:
12352100
PubChem Substance ID:
24870535
NACRES:
NA.22

assay

97%

bp

120 °C/33 mmHg (lit.)

mp

31-33 °C (lit.)

SMILES string

CC(C)(C#N)C#N

InChI

1S/C5H6N2/c1-5(2,3-6)4-7/h1-2H3

InChI key

BCMJJXWXMZYZKN-UHFFFAOYSA-N

Related Categories

Application

Dimethylmalononitrile may be employed as a starting reagent in the synthesis of bisoxazolines and (4′S,5′S)-2,2-bis[4′-hydroxymethyl-5′-phenyl-1′,3′-oxazolin-2′-yl]propane.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

4.1B - Flammable solid hazardous materials

wgk_germany

WGK 3

flash_point_f

145.4 °F - closed cup

flash_point_c

63 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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Dimethylmalononitrile. Low-temperature heat capacity, vapor pressure, density, and chemical thermodynamics of the crystalline, liquid, and gaseous phases.
Ribner A and Westrum Jr EF.
The Journal of Physical Chemistry, 71(5), 1208-1215 (1967)
Synthesis of non-symmetric bisoxazoline compounds. An easy way to reach tailored chiral ligands.
Garcia JI, et al.
Tetrahedron Asymmetry, 17(15), 2270-2275 (2006)
A new copper(II)/isopropylidene-2,2-bis(oxazoline) catalyst and its stable reactive complex with acryloyloxazolidinone in enantioselective reactions.
Giovanni Desimoni et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 15(38), 9674-9677 (2009-08-18)

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