1-Chloro-2,4,6-trifluorobenzene

C6H2ClF3CAS 2106-40-3166.53 g/mol

Open in Covalent MOL file
FClFF
Aryl halide

Properties

Molecular formula
C6H2ClF3
Molar mass
166.53 g/mol
Exact mass
165.9797 Da
logP
2.76Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 38 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
2106-40-3
SMILES
C1=C(C=C(C(=C1F)Cl)F)F
InChIKey
HNUHTJBTOGQIHV-UHFFFAOYSA-N
InChI
InChI=1S/C6H2ClF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H

Weigh it out

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Names and synonyms

1 names
  • 2,4,6-Trifluorochlorobenzene

Work with 1-Chloro-2,4,6-trifluorobenzene

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-Chloro-3,5-difluoroaniline36556-60-267 % similar 4-Chloro-3,5-difluorophenol2268-03-359 % similar 5-Bromo-2-chloro-1,3-difluorobenzene176673-72-657 % similar 2,4-Dichloro-1,3,5-trifluorobenzene2368-53-855 % similar 1,2,3,5-Tetrafluorobenzene2367-82-052 % similar 1-Chloro-2,6-difluorobenzene38361-37-452 % similar 1,3-Dibromo-2-chloro-5-fluorobenzene179897-90-650 % similar 1-Bromo-2-chloro-4,6-diflorobenzene1020198-58-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4-Trifluorochlorobenzene36556-42-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook