2,3,4,5-Tetrafluorobenzenemethanol

C7H4F4OCAS 53072-18-7180.10 g/mol

Open in Covalent MOL file
HOFFFF
AlcoholAryl halide

Properties

Molecular formula
C7H4F4O
Molar mass
180.10 g/mol
Exact mass
180.0198 Da
Boiling point
107–109 °C (at 22 Torr)
logP
1.74Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
53072-18-7
SMILES
OCc1cc(F)c(F)c(F)c1F
InChIKey
HLUZGUMMQYQHKJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F4O/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1,12H,2H2

Weigh it out

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

Names and synonyms

3 names
  • Benzenemethanol, 2,3,4,5-tetrafluoro-
  • 2,3,4,5-Tetrafluorobenzyl alcohol
  • (2,3,4,5-Tetrafluorophenyl)methanol

Work with 2,3,4,5-Tetrafluorobenzenemethanol

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

2,3,5-Trifluorobenzyl alcohol67640-33-964 % similar 2,3,4-Trifluorobenzyl alcohol144284-24-263 % similar 2,4,5-Trifluorobenzyl alcohol144284-25-358 % similar 2,3,4,5-Tetrafluorobenzyl bromide53001-71-157 % similar 3,4,5-Trifluorobenzenemethanol220227-37-256 % similar 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-256 % similar Pentafluorobenzene363-72-452 % similar 2,3-Difluorobenzyl alcohol75853-18-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethoxy)fluorobenzene1077-01-6 4-Fluoro-2-(trifluoromethyl)phenol130047-19-7 2-Fluoro-5-(trifluoromethyl)phenol141483-15-0 3-Fluoro-5-(trifluoromethyl)phenol172333-87-8 2-Fluoro-3-(trifluoromethyl)phenol207291-85-8 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-5 2,3,5,6-Tetrafluoroanisole2324-98-3 5-Fluoro-2-(trifluoromethyl)phenol243459-91-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook