3-(Trifluoromethyl)benzylic alcohol

C₈H₇F₃OCAS 349-75-7176.14 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
Density: 1.285 g/mL (at 25 °C)
Boiling point: 68 °C
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

349-75-7

SMILES

OCc1cccc(C(F)(F)F)c1

InChIKey

BXEHKCUWIODEDE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

3-(Trifluoromethyl)benzenemethanol
Benzenemethanol, 3-(trifluoromethyl)-
Benzyl alcohol, m-(trifluoromethyl)-
m-(Trifluoromethyl)benzyl alcohol
3-Hydroxymethylbenzyltrifluoride
3-Trifluoromethylbenzyl alcohol
3-Trifluorobenzyl alcohol
(3-Trifluoromethylphenyl)methanol

Work with 3-(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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3'-Bis(trifluoromethyl)diphenylmethane86845-35-468 % similar 3,5-Bis(trifluoromethyl)benzenemethanol32707-89-464 % similar 3-(Trifluoromethyl)benzenepropanol78573-45-264 % similar 3-(Trifluoromethyl)benzyl mercaptan25697-55-661 % similar 3-(Trifluoromethyl)benzylamine2740-83-261 % similar 3-(Trifluoromethyl)benzyl bromide402-23-361 % similar 3-(Trifluoromethyl)benzyl chloride705-29-361 % similar 3,5-Bis(trifluoromethyl)benzene402-31-358 % 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 2-(Trifluoromethyl)benzylic alcohol346-06-5 4-(Trifluoromethyl)benzenemethanol349-95-1 1-Methoxy-4-(trifluoromethyl)benzene402-52-8 1-Methoxy-3-(trifluoromethyl)benzene454-90-0

Elsewhere

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