3,6-Dichlorophthalic anhydride

C8H2Cl2O3CAS 4466-59-5217.00 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
191–191.5 °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 39 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
4466-59-5
SMILES
O=C1OC(=O)c2c(Cl)ccc(Cl)c21
InChIKey
HEGLMCPFDADCAQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H2Cl2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Isobenzofurandione, 4,7-dichloro-
  • Phthalic anhydride, 3,6-dichloro-
  • 4,7-Dichloro-1,3-isobenzofurandione
  • 3,6-Dichlorophthalic acid anhydride
  • 4,7-Dichloroisobenzofuran-1,3-dione

Work with 3,6-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chlorophthalic anhydride117-21-567 % similar 1,4,5,8-Tetrachloro-9,10-anthracenedione81-58-354 % similar Tetrachlorophthalic anhydride117-08-852 % similar Methyl 2,6-dichlorobenzoate14920-87-752 % similar 4-Chloro-1,8-naphthalic anhydride4053-08-150 % similar 3,6-Difluorophthalic anhydride652-40-448 % similar 1,6,7,12-Tetrachloroperylene tetracarboxylic acid dianhydride156028-26-147 % similar 1,4-Dichloroanthraquinone602-25-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Dichlorophthalic anhydride942-06-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook