2,6-Dichloro-benzotrifluoride

C7H3Cl2F3CAS 104359-35-5215.00 g/mol

Open in Covalent MOL file
ClFFFCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H3Cl2F3
Molar mass
215.00 g/mol
Exact mass
213.9564 Da
logP
4.01Crippen 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

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
104359-35-5
SMILES
C1=CC(=C(C(=C1)Cl)C(F)(F)F)Cl
InChIKey
MKSYCGMWKMMQPN-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2F3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H

Weigh it out

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Names and synonyms

1 names
  • 2,6-Dichlorobenzotrifluoride

Work with 2,6-Dichloro-benzotrifluoride

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

3-Chloro-2-(trifluoromethyl)aniline432-21-368 % similar 2-Chlorobenzotrifluoride88-16-458 % similar 2-Bromo-1-chloro-3-(trifluoromethyl)benzene384-16-750 % similar 2-Chloro-6-(trifluoromethyl)benzenamine433-94-350 % similar 3,5-Bis(trifluoromethyl)benzene402-31-348 % similar 2,4-Bis(trifluoromethyl)chlorobenzene327-76-446 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-646 % similar 1,2-Dichlorobenzene95-50-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dichloro-2-(trifluoromethyl)benzene320-50-3 2,4-Dichlorobenzotrifluoride320-60-5 3,4-Dichlorobenzotrifluoride328-84-7 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-2 1,3-Dichloro-5-(trifluoromethyl)benzene54773-20-5

Elsewhere

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