4-(Trifluoromethyl)benzenemethanol

C8H7F3OCAS 349-95-1176.14 g/mol

Open in Covalent MOL file
HOFFF
AlcoholAlkyl halide

Properties

Molecular formula
C8H7F3O
Molar mass
176.14 g/mol
Exact mass
176.0449 Da
Boiling point
78.5–80 °C (at 4 Torr)
logP
2.20Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
349-95-1
SMILES
OCc1ccc(C(F)(F)F)cc1
InChIKey
MOOUWXDQAUXZRG-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2

Weigh it out

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

Names and synonyms

6 names
  • Benzenemethanol, 4-(trifluoromethyl)-
  • Benzyl alcohol, p-(trifluoromethyl)-
  • p-(Trifluoromethyl)benzyl alcohol
  • 4-(Trifluoromethyl)benzyl alcohol
  • (4-Trifluoromethylphenyl)methanol
  • p-(Trifluoromethyl)phenylmethanol

Work with 4-(Trifluoromethyl)benzenemethanol

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

3,5-Bis(trifluoromethyl)benzenemethanol32707-89-462 % similar 1,4-Bis(trifluoromethyl)benzene433-19-257 % similar 1,4-Benzenedimethanol589-29-757 % similar 4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzyl Alcohol87736-88-757 % similar 4-(Trifluoromethyl)benzylamine3300-51-456 % similar 4-(Trifluoromethyl)benzyl bromide402-49-356 % similar 4-tert-Butylbenzyl alcohol877-65-656 % similar 4-Trifluoromethylbenzyl chloride939-99-156 % 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 3-(Trifluoromethyl)benzylic alcohol349-75-7 1-Methoxy-4-(trifluoromethyl)benzene402-52-8 1-Methoxy-3-(trifluoromethyl)benzene454-90-0

Elsewhere

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