3-Chlorophthalic anhydride

C₈H₃ClO₃CAS 117-21-5182.56 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: 124.8 °C
logP: 1.65Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed14.3% of notifiers
H315 Causes skin irritation28.6% of notifiers
H318 Causes serious eye damage71.4% of notifiers
H319 Causes serious eye irritation28.6% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

117-21-5

SMILES

O=C1OC(=O)c2c(Cl)cccc21

InChIKey

UERPUZBSSSAZJE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

1,3-Isobenzofurandione, 4-chloro-
Phthalic anhydride, 3-chloro-
4-Chloro-1,3-isobenzofurandione
3-Chlorophthalic acid anhydride
NSC 122937
4-Chloroisobenzofuran-1,3-dione

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,6-Dichlorophthalic anhydride4466-59-567 % similar 4,5-Dichlorophthalic anhydride942-06-361 % similar 3-Iodophthalic anhydride28418-88-459 % similar 3-Hydroxyphthalic anhydride37418-88-559 % similar 3-Methylphthalic anhydride4792-30-759 % similar 3-Fluorophthalic anhydride652-39-159 % similar 4-Chloro-1,8-naphthalic anhydride4053-08-156 % similar 2,3′,3,4′-Biphenyltetracarboxylic dianhydride36978-41-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chlorophthalic anhydride118-45-6

Elsewhere

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