1-Fluoro-2-(trichloromethyl)benzene

C7H4Cl3FCAS 488-98-2213.46 g/mol

Open in Covalent MOL file
FClClCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H4Cl3F
Molar mass
213.46 g/mol
Exact mass
211.9363 Da
logP
3.65Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
488-98-2
SMILES
Fc1ccccc1C(Cl)(Cl)Cl
InChIKey
JYLVSNNSOWDQQX-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl3F/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1-fluoro-2-(trichloromethyl)-
  • Toluene, α,α,α-trichloro-o-fluoro-
  • o-Fluorobenzotrichloride
  • 2-Fluorobenzotrichloride

Work with 1-Fluoro-2-(trichloromethyl)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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluorobenzotrifluoride392-85-856 % similar 4-Chloro-2-fluoro-1-(trichloromethyl)benzene179111-13-852 % similar O-Chlorobenzotrichloride2136-89-250 % similar 1,2-Difluorobenzene367-11-348 % similar 1-(Dichloromethyl)-2-(trichloromethyl)benzene2741-57-345 % similar 1-Chloro-2-fluorobenzene348-51-642 % similar 2,2'-Difluoro-1,1'-biphenyl388-82-942 % similar 1-Chloro-2,6-difluorobenzene38361-37-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Fluoro-3-(trichloromethyl)benzene401-77-4 1-Fluoro-4-(trichloromethyl)benzene402-42-6

Elsewhere

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