2,2-Dichloropropanedinitrile

C₃Cl₂N₂CAS 13063-43-9134.95 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₃Cl₂N₂
Molar mass: 134.95 g/mol
Exact mass: 133.9439 Da
Boiling point: 97 °C
logP: 1.21Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

13063-43-9

SMILES

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

InChIKey

NCWGPYPDPWOJKC-UHFFFAOYSA-N

InChI

InChI=1S/C3Cl2N2/c4-3(5,1-6)2-7

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

NSC 89686
2,2-Dichloromalononitrile
2,2-Dichloro-malononitrile
Propanedinitrile, 2,2-dichloro-
Malononitrile, dichloro-
Propanedinitrile, dichloro-
Dichlorodicyanomethane
Dichloromalononitrile
Dichloromalonodinitrile

Work with 2,2-Dichloropropanedinitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trichloroacetonitrile545-06-250 % similar Trifluoroacetonitrile353-85-533 % similar Pivalonitrile630-18-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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