Pentafluorophenol
Properties
- Molecular formula
- C6HF5O
- Molar mass
- 184.07 g/mol
- Exact mass
- 183.9948 Da
- Melting point
- 32.8 °C
- Boiling point
- 145.6 °C
- logP
- 2.09Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed24.1% of notifiers
- H312 Harmful in contact with skin24.1% of notifiers
- H314 Causes severe skin burns and eye damage13.8% of notifiers
- H315 Causes skin irritation69% of notifiers
- H319 Causes serious eye irritation70.7% of notifiers
- H335 May cause respiratory irritation70.7% of notifiers
Aggregated from 58 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
771-61-9SMILES
Oc1c(F)c(F)c(F)c(F)c1FInChIKey
XBNGYFFABRKICK-UHFFFAOYSA-NInChI
InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Phenol, 2,3,4,5,6-pentafluoro-
- Phenol, pentafluoro-
- 2,3,4,5,6-Pentafluorophenol
- Hydroxypentafluorobenzene
- Perfluorophenol
- Pentafluorohydroxybenzene
- NSC 21627
Work with Pentafluorophenol
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
Tetrafluorobenzene-1,3-diol16840-25-892 % similar
Tetrafluorohydroquinone771-63-192 % similar
Tetrafluorobenzene-1,2-diol1996-23-285 % similar
2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol2787-79-355 % similar
2,3,5,6-Tetrafluorophenol769-39-153 % similar
Hexafluorobenzene392-56-350 % similar
Tetrafluoro-4-hydroxybenzoic acid652-34-648 % similar
2,3,6-Trifluorophenol113798-74-643 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.