4-(Trifluoromethyl)phenol

C₇H₅F₃OCAS 402-45-9162.11 g/mol

Open in Covalent MOL file

Alkyl halide Phenol

Properties

Molecular formula: C₇H₅F₃O
Molar mass: 162.11 g/mol
Exact mass: 162.0292 Da
Melting point: 46 °C
Boiling point: 50 °C (at 2 Torr)
logP: 2.41Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid53.6% of notifiers
H301 Toxic if swallowed53.6% of notifiers
H315 Causes skin irritation54.8% of notifiers
H318 Causes serious eye damage54.8% of notifiers
H335 May cause respiratory irritation53.6% of notifiers

Aggregated from 84 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

402-45-9

SMILES

Oc1ccc(C(F)(F)F)cc1

InChIKey

BAYGVMXZJBFEMB-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

Weigh it out

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

Names and synonyms

8 names

Phenol, 4-(trifluoromethyl)-
p-Cresol, α,α,α-trifluoro-
p-Trifluoromethylphenol
p-Hydroxybenzotrifluoride
α,α,α-Trifluoro-p-cresol
α,α,α-Trifluoro-4-cresol
4-Hydroxybenzotrifluoride
NSC 88303

Work with 4-(Trifluoromethyl)phenol

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

1,4-Bis(trifluoromethyl)benzene433-19-267 % similar Bisphenol AF1478-61-158 % similar 3,5-Bis(trifluoromethyl)phenol349-58-657 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-757 % similar 3-(Trifluoromethyl)phenol98-17-954 % similar 4-Fluorobenzotrifluoride402-44-852 % similar Hydroquinone123-31-950 % similar 4-(Trifluoromethyl)phenylboronic acid128796-39-450 % similar

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

Same formula

2,3,6-Trifluorobenzyl alcohol114152-19-1 2,4,6-Trifluorobenzyl alcohol118289-07-9 2,3,4-Trifluorobenzyl alcohol144284-24-2 2,4,5-Trifluorobenzyl alcohol144284-25-3 2,3,4-Trifluoroanisole203245-16-3 3,4,5-Trifluorobenzenemethanol220227-37-2 2-(Trifluoromethyl)phenol444-30-4 (Trifluoromethoxy)benzene456-55-3

Elsewhere

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