1-Chloro-4-(trifluoromethoxy)benzene

C7H4ClF3OCAS 461-81-4196.55 g/mol

Open in Covalent MOL file
FFFOCl
Alkyl halideAryl halideEther

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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 2 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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 4-(Trifluoromethoxy)thiophenol169685-29-456 % similar 1-tert-Butoxy-4-chlorobenzene18995-35-256 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-756 % similar 4-(Trifluoromethoxy)aniline461-82-556 % similar 4-Trifluoromethoxytoluene706-27-456 % 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 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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