2-Chloro-5-(trifluoromethyl)phenol

C₇H₄ClF₃OCAS 40889-91-6196.55 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
logP: 3.06Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed10.6% of notifiers
H312 Harmful in contact with skin10.6% of notifiers
H315 Causes skin irritation89.4% of notifiers
H319 Causes serious eye irritation89.4% of notifiers
H335 May cause respiratory irritation87.2% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

40889-91-6

SMILES

C1=CC(=C(C=C1C(F)(F)F)O)Cl

InChIKey

SUIZARUATMVYRT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Phenol, 2-chloro-5-(trifluoromethyl)-

Work with 2-Chloro-5-(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

3,4-Dichlorobenzotrifluoride328-84-764 % similar 2,4-Bis(trifluoromethyl)chlorobenzene327-76-460 % similar 2-Fluoro-5-(trifluoromethyl)phenol141483-15-058 % similar 4-Chloro-3-fluorobenzotrifluoride32137-20-558 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-656 % similar 2-Bromo-5-(trifluoromethyl)phenol402-05-156 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-456 % similar 2-Amino-5-(trifluoromethyl)phenol454-82-056 % 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-(Trifluoromethoxy)chlorobenzene450-96-4 1-Chloro-4-(trifluoromethoxy)benzene461-81-4 3-Chloro-5-hydroxybenzotrifluoride570391-18-3 4-Chloro-3-(trifluoromethyl)phenol6294-93-5 1-Chloro-3-(trifluoromethoxy)benzene772-49-6

Elsewhere

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