4,5-Dichlorophthalic anhydride

C8H2Cl2O3CAS 942-06-3217.00 g/mol

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

1,6,7,12-Tetrachloroperylene tetracarboxylic acid dianhydride156028-26-169 % similar 3-Chlorophthalic anhydride117-21-561 % similar 4-Chlorophthalic anhydride118-45-657 % similar 4,5-Difluorophthalic anhydride18959-30-354 % similar 5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone2420-87-352 % similar 2,3-Naphthalenedicarboxylic anhydride716-39-252 % similar 4-Chloro-1,8-naphthalic anhydride4053-08-150 % similar 4,4'-Oxydiphthalic anhydride1823-59-248 % similar

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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