6-Bromo-4-chloro-2-(trifluoromethyl)quinoline

C10H4BrClF3NCAS 1701-28-6310.50 g/mol

Open in Covalent MOL file
BrNFFFCl
Alkyl halideAryl halide

Properties

Molecular formula
C10H4BrClF3N
Molar mass
310.50 g/mol
Exact mass
308.9168 Da
logP
4.67Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1701-28-6
SMILES
C1=CC2=C(C=C1Br)C(=CC(=N2)C(F)(F)F)Cl
InChIKey
JKEQQFAWABXNFV-UHFFFAOYSA-N
InChI
InChI=1S/C10H4BrClF3N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H

Weigh it out

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

Work with 6-Bromo-4-chloro-2-(trifluoromethyl)quinoline

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

4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-167 % similar 6-Bromo-2-(trifluoromethyl)-4-quinolinol1701-22-065 % similar 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline1701-26-465 % similar 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline123637-51-464 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-263 % similar 4,8-Dichloro-2-(trifluoromethyl)quinoline18706-35-953 % similar 6-Bromo-4-chloroquinoline65340-70-750 % similar 4-Chloro-2,8-bis(trifluoromethyl)quinoline83012-13-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook