chempirical

Parachlorobenzotrifluoride

C7H4ClF3CAS 98-56-6180.55 g/mol

Open in Covalent MOL file
FFFCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H4ClF3
Molar mass
180.55 g/mol
Exact mass
179.9954 Da
Density
1.334 g/mL (at 25 °C)
Melting point
−33 °C
Boiling point
139.3 °C
logP
3.36Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
98-56-6
SMILES
FC(F)(F)c1ccc(Cl)cc1
InChIKey
QULYNCCPRWKEMF-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)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

22 names · show all
  • Benzene, 1-chloro-4-(trifluoromethyl)-
  • Toluene, p-chloro-α,α,α-trifluoro-
  • 1-Chloro-4-(trifluoromethyl)benzene
  • p-Chloro-α,α,α-trifluorotoluene
  • p-Chlorobenzotrifluoride
  • p-Chloro(trifluoromethyl)benzene
  • p-Trifluoromethylphenyl chloride
  • 4-Chlorobenzotrifluoride
  • (p-Chlorophenyl)trifluoromethane
  • 4-Chloro-α,α,α-trifluorotoluene
  • p-(Trifluoromethyl)chlorobenzene
  • 4-(Trifluoromethyl)chlorobenzene
  • 4-Chloro(trifluoromethyl)benzene
  • 4-Chlorobenzyltrifluoride
  • Oxsol 100
  • 4-(Trifluoromethyl)phenyl chloride
  • NSC 10309
  • Oxol 100
  • 4-Trifluoromethyl-1-chlorobenzene
  • 4-Chloro-1-trifluoromethylbenzene
  • 4-Chloro-α,α,α-benzotrifluoride
  • Oxsul 100

Work with Parachlorobenzotrifluoride

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

1,4-Bis(trifluoromethyl)benzene433-19-267 % similar 1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-357 % similar 1,3-Dichloro-5-(trifluoromethyl)benzene54773-20-557 % similar 4-Fluorobenzotrifluoride402-44-852 % similar 4-Chlorobenzotrichloride5216-25-152 % similar 1,4-Dichlorobenzene106-46-750 % similar 3,4-Dichlorobenzotrifluoride328-84-750 % similar 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-350 % similar

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

Same formula

1-(Chloromethyl)-2,4,5-trifluorobenzene243139-71-1 2-Chlorobenzotrifluoride88-16-4 3-Chlorobenzotrifluoride98-15-7

Elsewhere

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