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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.)

functional group

nitrile

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

468789-VAR:
468789-BULK:
468789-1G:4548173155661
468789-5G:4548173155678

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Certificates of Analysis (COA)

Lot/Batch Number
MKCG9595
MKBZ5964V
MKBX3144V
MKBT9923V
MKBV0581V

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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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