4,5-Dichlorophthalic anhydride

C₈H₂Cl₂O₃CAS 942-06-3217.00 g/mol

Open in Covalent MOL file

Acid anhydride Aryl halide

Properties

Molecular formula: C₈H₂Cl₂O₃
Molar mass: 217.00 g/mol
Exact mass: 215.9381 Da
Melting point: 188 °C
Boiling point: 313 °C
logP: 2.30Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

942-06-3

SMILES

O=C1OC(=O)c2cc(Cl)c(Cl)cc21

InChIKey

ULSOWUBMELTORB-UHFFFAOYSA-N

InChI

InChI=1S/C8H2Cl2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2H

Weigh it out

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

Names and synonyms

4 names

1,3-Isobenzofurandione, 5,6-dichloro-
Phthalic anhydride, 4,5-dichloro-
5,6-Dichloro-1,3-isobenzofurandione
5,6-Dichloro-2-benzofuran-1,3-dione

Work with 4,5-Dichlorophthalic anhydride

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

3-Chlorophthalic anhydride117-21-561 % similar 4-Chlorophthalic anhydride118-45-657 % similar Bpda2420-87-352 % similar 2,3-Naphthalenedicarboxylic anhydride716-39-252 % similar 4-Chloro-1,8-naphthalic anhydride4053-08-150 % similar 4,4′-Oxydiphthalic anhydride1823-59-248 % similar 4,5-Dichlorophthalic acid56962-08-448 % similar Naphthalenetetracarboxylic dianhydride81-30-148 % similar

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

Same formula

3,6-Dichlorophthalic anhydride4466-59-5

Elsewhere

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