1-Chloro-4-(trifluoromethoxy)benzene

C₇H₄ClF₃OCAS 461-81-4196.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₄ClF₃O
Molar mass: 196.55 g/mol
Exact mass: 195.9903 Da
Density: 1.3679 g/mL (at 20 °C)
Boiling point: 141–142 °C
logP: 3.24Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

461-81-4

SMILES

FC(F)(F)Oc1ccc(Cl)cc1

InChIKey

SELFZOLQRDPBKC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Benzene, 1-chloro-4-(trifluoromethoxy)-
Anisole, p-chloro-α,α,α-trifluoro-
4-Chlorophenyl trifluoromethyl ether
p-Chloro(trifluoromethoxy)benzene
4-Chloro-α,α,α-trifluoroanisole
4-Chloro(trifluoromethoxy)benzene
4-(Trifluoromethoxy)chlorobenzene

Work with 1-Chloro-4-(trifluoromethoxy)benzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Fluoro-4-(trifluoromethoxy)benzene352-67-058 % similar (Trifluoromethoxy)benzene456-55-356 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-656 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-756 % similar 4-(Trifluoromethoxy)aniline461-82-556 % similar 1-Methoxy-4-(trifluoromethoxy)benzene710-18-956 % similar 4-(Trifluoromethoxy)phenol828-27-356 % similar 4-(Trifluoromethoxy)benzenemethanol1736-74-950 % similar

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

Same formula

2-Chloro-3-(trifluoromethyl)phenol138377-34-1 4-Chloro-3-(trifluoromethyl)phenol6294-93-5

Elsewhere

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