2,3,5,6-Tetrafluorobenzoic acid

C7H2F4O2CAS 652-18-6194.08 g/mol

Open in Covalent MOL file
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Aryl halideCarboxylic acid

Properties

Molecular formula
C7H2F4O2
Molar mass
194.08 g/mol
Exact mass
193.9991 Da
Melting point
151 °C
logP
1.94Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI, index 607-448-00-1), via PubChem.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364

Identifiers

CAS number
652-18-6
SMILES
O=C(O)c1c(F)c(F)cc(F)c1F
InChIKey
KVLBXIOFJUWSJQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)

Weigh it out

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

Names and synonyms

1 names
  • Benzoic acid, 2,3,5,6-tetrafluoro-

Work with 2,3,5,6-Tetrafluorobenzoic acid

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-Amino-2,5,6-trifluorobenzoic acid133622-65-876 % similar 2,3,6-Trifluorobenzoic acid2358-29-468 % similar 2-Methyl-3,4,6-trifluoro benzoic acid119916-22-268 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-867 % similar 3,4,5-Trifluorobenzoic acid121602-93-564 % similar Pentafluorobenzoic acid602-94-864 % similar Tetrafluoroisophthalic acid1551-39-962 % similar 3,3',5,5'-Tetrafluorobiphenyl-4,4'-dicarboxylic acid31381-91-661 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4,5-Tetrafluorobenzoic acid1201-31-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook