3-Chloro-4-hydroxybenzotrifluoride

C7H4ClF3OCAS 35852-58-5196.55 g/mol

Open in Covalent MOL file
FFFClOH
Alkyl halideAryl halidePhenol

Properties

Molecular formula
C7H4ClF3O
Molar mass
196.55 g/mol
Exact mass
195.9903 Da
logP
3.06Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
35852-58-5
SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)O
InChIKey
YNWKEXMSQQUMEL-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClF3O/c8-5-3-4(7(9,10)11)1-2-6(5)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-4-(trifluoromethyl)phenol

Work with 3-Chloro-4-hydroxybenzotrifluoride

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 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-061 % similar 2-Bromo-4-(trifluoromethyl)phenol81107-97-361 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-658 % similar 3-Chloro-4-iodobenzotrifluoride141738-80-956 % similar 2-Chloro-4-trifluoromethylaniline39885-50-256 % similar 2-Bromo-5-(trifluoromethyl)phenol402-05-156 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-(trifluoromethyl)phenol138377-34-1 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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