2,3,5,6-Tetrafluorobenzyl alcohol

C₇H₄F₄OCAS 4084-38-2180.10 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₇H₄F₄O
Molar mass: 180.10 g/mol
Exact mass: 180.0198 Da
logP: 1.74Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H319 Causes serious eye irritationSerious eye damage/eye irritation

Harmonised EU classification (CLP Annex VI, index 602-108-00-9), via PubChem.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

4084-38-2

SMILES

OCc1c(F)c(F)cc(F)c1F

InChIKey

AGWVQASYTKCTCC-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1,12H,2H2

Weigh it out

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

Names and synonyms

4 names

Benzenemethanol, 2,3,5,6-tetrafluoro-
Benzyl alcohol, 2,3,5,6-tetrafluoro-
2,3,5,6-Tetrafluorobenzenemethanol
(2,3,5,6-Tetrafluorophenyl)methanol

Work with 2,3,5,6-Tetrafluorobenzyl alcohol

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

2,3,6-Trifluorobenzyl alcohol114152-19-164 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedimethanol92339-07-662 % similar 3,4,5-Trifluorobenzenemethanol220227-37-260 % similar Pentafluorobenzyl alcohol440-60-859 % similar 2,3,4,5-Tetrafluorobenzenemethanol53072-18-756 % similar 2,4,6-Trifluorobenzyl alcohol118289-07-954 % similar 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-354 % similar 2,3,5-Trifluorobenzyl alcohol67640-33-952 % 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

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