chempirical

Tetrachlorophthalic anhydride

C8Cl4O3CAS 117-08-8285.89 g/mol

Open in Covalent MOL file
OOOClClClCl
Acid anhydrideAryl halide

Properties

Molecular formula
C8Cl4O3
Molar mass
285.89 g/mol
Exact mass
283.8602 Da
Melting point
255–256.5 °C
Boiling point
371 °C
logP
3.61Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
117-08-8
SMILES
O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIKey
AUHHYELHRWCWEZ-UHFFFAOYSA-N
InChI
InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11

Weigh it out

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

Names and synonyms

9 names
  • 1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-
  • Phthalic anhydride, tetrachloro-
  • 4,5,6,7-Tetrachloro-1,3-isobenzofurandione
  • Niagathal
  • 1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran
  • 3,4,5,6-Tetrachlorophthalic anhydride
  • Tetrachlorophthalic acid anhydride
  • NSC 1484
  • 4,5,6,7-Tetrachloroisobenzofuran-1,3-dione

Work with Tetrachlorophthalic 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

Dimethyl tetrachloroterephthalate1861-32-152 % similar 3,6-Dichlorophthalic anhydride4466-59-552 % similar Tetrachlorophthalic acid632-58-644 % similar Tetrabromophthalic anhydride632-79-144 % similar Tetrafluorophthalic anhydride652-12-044 % similar 3-Chlorophthalic anhydride117-21-543 % similar 2,3,5,6-Tetrachloro-1,4-benzenedicarbonyl dichloride719-32-442 % similar 4,5-Dichlorophthalic anhydride942-06-341 % similar

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

Elsewhere

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