2-Chloro-3-(trifluoromethyl)phenol

C₇H₄ClF₃OCAS 138377-34-1196.55 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

H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 44 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

138377-34-1

SMILES

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

InChIKey

BGXZMBZFGAIBDH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Chloro-3-hydroxybenzotrifluoride

Work with 2-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

2-(Trifluoromethyl)phenol444-30-463 % similar 2-Fluoro-3-(trifluoromethyl)phenol207291-85-860 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-259 % similar 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-657 % similar 2-Chlororesorcinol6201-65-656 % similar 2-Chloro-3-(trifluoromethyl)aniline62476-58-855 % similar 2-Chloro-3-(trifluoromethyl)benzyl alcohol261763-20-655 % similar 2-Chloro-3-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)957061-11-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 4-Chloro-3-(trifluoromethyl)phenol6294-93-5 1-Chloro-3-(trifluoromethoxy)benzene772-49-6

Elsewhere

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