4-Chloro-3-(trifluoromethyl)phenol

C₇H₄ClF₃OCAS 6294-93-5196.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₇H₄ClF₃O
Molar mass: 196.55 g/mol
Exact mass: 195.9903 Da
Melting point: 43 °C
Boiling point: 120–122 °C (at 27 Torr)
logP: 3.06Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed77.8% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage11.1% of notifiers
H319 Causes serious eye irritation22.2% of notifiers
H332 Harmful if inhaled22.2% of notifiers
H335 May cause respiratory irritation22.2% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

6294-93-5

SMILES

Oc1ccc(Cl)c(C(F)(F)F)c1

InChIKey

ZLFPIEUWXNRPNM-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClF3O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H

Weigh it out

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

Names and synonyms

4 names

Phenol, 4-chloro-3-(trifluoromethyl)-
m-Cresol, 4-chloro-α,α,α-trifluoro-
NSC 11757
2-Chloro-5-hydroxybenzotrifluoride

Work with 4-Chloro-3-(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

5-Bromo-2-chlorobenzotrifluoride445-01-261 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-360 % similar 2,4-Bis(trifluoromethyl)chlorobenzene327-76-460 % similar 4-Fluoro-3-(trifluoromethyl)phenol61721-07-158 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-358 % similar 2-Chloro-5-iodobenzotrifluoride260355-20-256 % similar 4-Bromo-3-(trifluoromethyl)phenol320-49-056 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-(trifluoromethyl)phenol138377-34-1 3-Chloro-4-hydroxybenzotrifluoride35852-58-5 2-Chloro-5-(trifluoromethyl)phenol40889-91-6 2-(Trifluoromethoxy)chlorobenzene450-96-4 1-Chloro-4-(trifluoromethoxy)benzene461-81-4 3-Chloro-5-hydroxybenzotrifluoride570391-18-3 1-Chloro-3-(trifluoromethoxy)benzene772-49-6

Elsewhere

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