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

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin11.6% of notifiers
H312 Harmful in contact with skin88.4% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation88.4% of notifiers
H331 Toxic if inhaled11.6% of notifiers
H332 Harmful if inhaled88.4% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

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 Oxiranetetracarbonitrile3189-43-333 % 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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