Tetrafluorophthalic anhydride

C8F4O3CAS 652-12-0220.08 g/mol

Open in Covalent MOL file
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Acid anhydrideAryl halide

Properties

Molecular formula
C8F4O3
Molar mass
220.08 g/mol
Exact mass
219.9784 Da
Melting point
95 °C
logP
1.55Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 11 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
652-12-0
SMILES
O=C1OC(=O)c2c(F)c(F)c(F)c(F)c21
InChIKey
BJDDKZDZTHIIJB-UHFFFAOYSA-N
InChI
InChI=1S/C8F4O3/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

4 names
  • 1,3-Isobenzofurandione, 4,5,6,7-tetrafluoro-
  • Phthalic anhydride, tetrafluoro-
  • 4,5,6,7-Tetrafluoro-1,3-isobenzofurandione
  • 3,4,5,6-Tetrafluorophthalic anhydride

Work with Tetrafluorophthalic 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

Methyl pentafluorobenzoate36629-42-256 % similar 3,6-Difluorophthalic anhydride652-40-452 % similar Ethyl 2,3,4,5,6-pentafluorobenzoate4522-93-450 % similar Decafluorobenzophenone853-39-450 % similar Tetrachlorophthalic anhydride117-08-844 % similar Pentafluorobenzoyl chloride2251-50-544 % similar Pentafluorobenzoic acid602-94-844 % similar Tetrabromophthalic anhydride632-79-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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