1,2-Dichloro-3-fluorobenzene

C6H3Cl2FCAS 36556-50-0164.99 g/mol

Open in Covalent MOL file
FClCl
Aryl halide

Properties

Molecular formula
C6H3Cl2F
Molar mass
164.99 g/mol
Exact mass
163.9596 Da
logP
3.13Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
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
36556-50-0
SMILES
Fc1cccc(Cl)c1Cl
InChIKey
NPXCSDPOOVOVDQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2F/c7-4-2-1-3-5(9)6(4)8/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1,2-dichloro-3-fluoro-
  • 2,3-Dichlorofluorobenzene
  • 1-Fluoro-2,3-dichlorobenzene
  • 2,3-Dichloro-1-fluorobenzene
  • 2,3-Dichloro-4-fluorobenzene
  • 1,6-Dichloro-2-fluorobenzene

Work with 1,2-Dichloro-3-fluorobenzene

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

1-Chloro-2,6-difluorobenzene38361-37-470 % similar 1-Chloro-2-fluorobenzene348-51-664 % similar 1,2,3-Trichlorobenzene87-61-660 % similar 1-Bromo-2-chloro-3-fluorobenzene883499-24-956 % similar 1-Chloro-3-fluoro-2-iodobenzene127654-70-054 % similar 2-Chloro-6-fluorophenol2040-90-654 % similar 2-Chloro-3-fluorobenzenamine21397-08-054 % similar 2-Bromo-1-chloro-3-fluorobenzene309721-44-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dichloro-5-fluorobenzene1435-46-7 2,4-Dichlorofluorobenzene1435-48-9 1,2-Dichloro-4-fluorobenzene1435-49-0 1,3-Dichloro-2-fluorobenzene2268-05-5 2,5-Dichlorofluorobenzene348-59-4

Elsewhere

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