2-(Trifluoromethyl)benzylic alcohol

C₈H₇F₃OCAS 346-06-5176.14 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₈H₇F₃O
Molar mass: 176.14 g/mol
Exact mass: 176.0449 Da
Boiling point: 82–83 °C (at 3.5 Torr)
logP: 2.20Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.8% of notifiers

Aggregated from 48 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

346-06-5

SMILES

OCc1ccccc1C(F)(F)F

InChIKey

TWQNSHZTQSLJEE-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2

Weigh it out

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

Names and synonyms

7 names

2-(Trifluoromethyl)benzenemethanol
Benzenemethanol, 2-(trifluoromethyl)-
Benzyl alcohol, o-(trifluoromethyl)-
o-(Trifluoromethyl)benzyl alcohol
2-(Trifluoromethyl)benzyl alcohol
2-Trifluorobenzyl alcohol
(2-Trifluoromethylphenyl)methanol

Work with 2-(Trifluoromethyl)benzylic 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-Fluoro-3-(trifluoromethyl)benzyl alcohol207981-45-167 % similar 2-Chloro-3-(trifluoromethyl)benzyl alcohol261763-20-667 % similar 2-(Trifluoromethyl)benzeneethanol94022-96-566 % similar 2-Trifluoromethylbenzyl chloride21742-00-759 % similar 2-(Trifluoromethyl)benzylamine3048-01-959 % similar 2-Trifluoromethylbenzyl bromide395-44-859 % similar 2,4-Bis(trifluoromethyl)benzyl alcohol143158-15-058 % similar 2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(-)-2,2,2-Trifluoro-1-phenylethanol10531-50-7 (S)-Alpha-(Trifluoromethyl)benzyl alcohol340-04-5 (S)-Alpha-(Trifluoromethyl)benzyl alcohol340-05-6 (+)-2,2,2-Trifluoro-1-phenylethanol340-06-7 3-(Trifluoromethyl)benzylic alcohol349-75-7 4-(Trifluoromethyl)benzenemethanol349-95-1 1-Methoxy-4-(trifluoromethyl)benzene402-52-8 1-Methoxy-3-(trifluoromethyl)benzene454-90-0

Elsewhere

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