2,3,5,6-Tetrafluorophenol
Properties
- Molecular formula
- C6H2F4O
- Molar mass
- 166.07 g/mol
- Exact mass
- 166.0042 Da
- Melting point
- 38 °C
- Boiling point
- 140 °C
- logP
- 1.95Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed14.3% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H314 Causes severe skin burns and eye damage14.3% of notifiers
- H315 Causes skin irritation85.7% of notifiers
- H319 Causes serious eye irritation85.7% of notifiers
- H335 May cause respiratory irritation83.7% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
769-39-1SMILES
Oc1c(F)c(F)cc(F)c1FInChIKey
PBYIIRLNRCVTMQ-UHFFFAOYSA-NInChI
InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Phenol, 2,3,5,6-tetrafluoro-
- 1,2,4,5-Tetrafluoro-3-hydroxybenzene
- NSC 88309
Work with 2,3,5,6-Tetrafluorophenol
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
2,3,6-Trifluorophenol113798-74-659 % similar
Pentafluorobenzene363-72-458 % similar
Tetrafluorohydroquinone771-63-156 % similar
3-Hydroxy-2,4,5-trifluorobenzoic acid116751-24-755 % similar
2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl3883-86-155 % similar
3,4,5-Trifluorophenol99627-05-155 % similar
Pentafluorophenol771-61-953 % similar
Tetrafluorobenzene-1,3-diol16840-25-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.