[5-Chloro-2-(trifluoromethyl)phenyl]methanol

C8H6ClF3OCAS 261763-21-7210.58 g/mol

Open in Covalent MOL file
ClHOFFF
AlcoholAlkyl halideAryl halide

Properties

Molecular formula
C8H6ClF3O
Molar mass
210.58 g/mol
Exact mass
210.0059 Da
logP
2.85Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
261763-21-7
SMILES
C1=CC(=C(C=C1Cl)CO)C(F)(F)F
InChIKey
LUMJBVGPYBBQAP-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3,13H,4H2

Weigh it out

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

Names and synonyms

1 names
  • 5-Chloro-2-(trifluoromethyl)benzyl alcohol

Work with [5-Chloro-2-(trifluoromethyl)phenyl]methanol

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-(Bromomethyl)-4-chloro-1-(trifluoromethyl)benzene261763-24-065 % similar 2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-364 % similar 5-Fluoro-2-(trifluoromethyl)benzenemethanol238742-82-062 % similar 2,4-Dichlorobenzotrifluoride320-60-555 % similar 2,5-Dichlorobenzylic alcohol34145-05-655 % similar 2-(Trifluoromethyl)benzylic alcohol346-06-555 % similar 5-Chloro-2-hydroxybenzenemethanol5330-38-153 % similar 4-Chloro-2-fluorobenzotrifluoride94444-59-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-(trifluoromethyl)benzyl alcohol261763-20-6 4-Chloro-3-(trifluoromethyl)anisole400-73-7 2-Chloro-4-(trifluoromethyl)benzenemethanol56456-51-0 2-Chloro-5-(trifluoromethyl)benzyl alcohol64372-62-9 4-Chloro-3-(trifluoromethyl)benzyl alcohol65735-71-9 4-(Trifluoromethoxy)benzyl chloride65796-00-1

Elsewhere

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