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

C₁₁H₆BrClF₃NCAS 123637-51-4324.53 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₁H₆BrClF₃N
Molar mass: 324.53 g/mol
Exact mass: 322.9324 Da
logP: 4.80Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

123637-51-4

SMILES

C1=CC2=C(C=C1CBr)C(=CC(=N2)C(F)(F)F)Cl

InChIKey

SJBKLFYWXYFAGT-UHFFFAOYSA-N

InChI

InChI=1S/C11H6BrClF3N/c12-5-6-1-2-9-7(3-6)8(13)4-10(17-9)11(14,15)16/h1-4H,5H2

Weigh it out

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

Names and synonyms

1 names

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

Work with 6-(Bromomethyl)-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

6-Bromo-4-chloro-2-(trifluoromethyl)quinoline1701-28-664 % similar 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-162 % similar 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline1701-26-460 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-259 % similar 4-Chloro-3-(trifluoromethyl)benzyl bromide261763-23-952 % similar 4,8-Dichloro-2-(trifluoromethyl)quinoline18706-35-949 % similar 4-Chloro-2,8-bis(trifluoromethyl)quinoline83012-13-946 % similar 4,5,7-Trichloro-2-(trifluoromethyl)quinoline175203-41-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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