4-Chlorophthalic anhydride

C₈H₃ClO₃CAS 118-45-6182.56 g/mol

Open in Covalent MOL file

Acid anhydride Aryl halide

Properties

Molecular formula: C₈H₃ClO₃
Molar mass: 182.56 g/mol
Exact mass: 181.9771 Da
Melting point: 98 °C
Boiling point: 286–290 °C
logP: 1.65Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

118-45-6

SMILES

O=C1OC(=O)c2cc(Cl)ccc21

InChIKey

BTTRMCQEPDPCPA-UHFFFAOYSA-N

InChI

InChI=1S/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H

Weigh it out

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

Names and synonyms

7 names

1,3-Isobenzofurandione, 5-chloro-
Phthalic anhydride, 4-chloro-
5-Chloro-1,3-isobenzofurandione
p-Chlorophthalic anhydride
4-Chlorophthalic acid anhydride
5-Chloro-2-benzofuran-1,3-dione
5-Chloroisobenzofuran-1,3-dione

Work with 4-Chlorophthalic 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

Bpda2420-87-361 % similar 4,5-Dichlorophthalic anhydride942-06-357 % similar 4,4′-Oxydiphthalic anhydride1823-59-257 % similar 2,4-Dichlorobenzoyl peroxide133-14-256 % similar 4-Methylphthalic anhydride19438-61-055 % similar Benzophenonetetracarboxylic dianhydride2421-28-555 % similar 4-Fluorophthalic anhydride319-03-955 % similar 4-Bromophthalic anhydride86-90-855 % similar

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

Same formula

3-Chlorophthalic anhydride117-21-5

Elsewhere

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