Itaconyl chloride

C₅H₄Cl₂O₂CAS 1931-60-8166.99 g/mol

Open in Covalent MOL file

Acyl halide Alkene

Properties

Molecular formula: C₅H₄Cl₂O₂
Molar mass: 166.99 g/mol
Exact mass: 165.9588 Da
logP: 1.46Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

1931-60-8

SMILES

C=C(CC(=O)Cl)C(=O)Cl

InChIKey

CGCRIQNPIBHVCQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H4Cl2O2/c1-3(5(7)9)2-4(6)8/h1-2H2

Weigh it out

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

Names and synonyms

8 names

2-Methylidenebutanedioyl dichloride
2,2-Methylenesuccinyl dichloride
2-Methylenebutanedioyl dichloride
Succinyl chloride, methylene
Butanedioyl dichloride, methylene-
2-Methylenesuccinyl chloride
Methylenesuccinyl chloride
2-Methylene-butanedioyl dichloride

Reactions

Itaconyl chlorideproduct

Work with Itaconyl chloride

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Malonyl chloride1663-67-850 % similar Succinyl chloride543-20-438 % similar Oxalyl chloride79-37-836 % similar Methacryloyl chloride920-46-736 % similar Methyl 3-chloro-3-oxopropanoate37517-81-035 % similar Adipoyl chloride111-50-235 % similar Glutaryl chloride2873-74-735 % similar Chloroacetyl chloride79-04-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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