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468789

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

Quality Level

100

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

Signal Word

Danger

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point(F)

145.4 °F - closed cup

Flash Point(C)

63 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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)
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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