2,4-Dichloro-1,3,5-trifluorobenzene

C6HCl2F3CAS 2368-53-8200.97 g/mol

Open in Covalent MOL file
FFClFCl
Aryl halide

Properties

Molecular formula
C6HCl2F3
Molar mass
200.97 g/mol
Exact mass
199.9407 Da
Density
1.599 g/mL (at 20 °C)
Melting point
−11–10 °C
Boiling point
161–162 °C
logP
3.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
2368-53-8
SMILES
Fc1cc(F)c(Cl)c(F)c1Cl
InChIKey
UOGVNYNJSZHQCN-UHFFFAOYSA-N
InChI
InChI=1S/C6HCl2F3/c7-4-2(9)1-3(10)5(8)6(4)11/h1H

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 2,4-dichloro-1,3,5-trifluoro-
  • 1,3,5-Trifluoro-2,4-dichlorobenzene
  • 1,3-Dichloro-2,4,6-trifluorobenzene

Work with 2,4-Dichloro-1,3,5-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3,5-Trichloro-2,4,6-trifluorobenzene319-88-056 % similar 1-Chloro-2,4,6-trifluorobenzene2106-40-355 % similar 4-Chloro-3,5-difluorophenol2268-03-352 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-352 % similar 1,3-Dichloro-2,4,5,6-tetrafluorobenzene1198-61-450 % similar 5-Bromo-2-chloro-1,3-difluorobenzene176673-72-650 % similar Pentafluorobenzene363-72-450 % similar 1-Bromo-3-chloro-2,4-difluorobenzene201849-13-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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