chempirical

3-Chlorophthalic anhydride

C8H3ClO3CAS 117-21-5182.56 g/mol

Open in Covalent MOL file
OOOCl
Acid anhydrideAryl 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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

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

PubChem CAS Common Chemistry NIST WebBook Wikipedia