Tetrachlorophthalic anhydride
Properties
- Molecular formula
- C8Cl4O3
- Molar mass
- 285.89 g/mol
- Exact mass
- 283.8602 Da
- Density
- 1.49 g/mL (at 275 °C)
- Melting point
- 255–256.5 °C
- Boiling point
- 371 °C
- Flash point
- 362 °C (closed cup)
- Water solubility
- 4 g/L (20 °C)
- logP
- 3.61Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Danger
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaledSensitization, respiratory
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 607-242-00-1), via PubChem.
Precautionary statements
P233, P260, P261, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P391, P403, P501
Identifiers
CAS number
117-08-8SMILES
O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21InChIKey
AUHHYELHRWCWEZ-UHFFFAOYSA-NInChI
InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11Weigh it out
Type any one amount. The others follow from the molar mass and density.
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
Phthalide27355-22-250 % similar
Pentachlorobenzoic acid1012-84-644 % similar
4,5,6,7-Tetrachloro-2,3-dihydro-1H-indene-1,3-dione30675-13-944 % similar
Tetrachlorophthalic acid632-58-644 % similar
Tetrabromophthalic anhydride632-79-144 % similar
Tetraiodophthalic anhydride632-80-444 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.