8-Bromo-2-chloroquinoline

C₉H₅BrClNCAS 163485-86-7242.50 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₉H₅BrClN
Molar mass: 242.50 g/mol
Exact mass: 240.9294 Da
logP: 3.65Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

163485-86-7

SMILES

C1=CC2=C(C(=C1)Br)N=C(C=C2)Cl

InChIKey

ZXSUGMMMZOMZTD-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrClN/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H

Weigh it out

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

Work with 8-Bromo-2-chloroquinoline

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

2,9-Dichloro-1,10-phenanthroline29176-55-464 % similar 2,8-Dichloroquinoline4470-83-162 % similar 8-Bromo-2-methyl-quinoline61047-43-658 % similar 2-Chloro-1,10-phenanthroline7089-68-158 % similar 8-Bromo-2-chloroquinazoline956100-63-353 % similar 8-Bromoquinoline16567-18-350 % similar 2-Chloroquinoline612-62-450 % similar 3-Bromo-2,6-dichloropyridine866755-20-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-2-chloroquinoline1810-71-5 6-Bromo-1-chloro-isoquinoline205055-63-6 7-Bromo-1-chloroisoquinoline215453-51-3 5-Bromo-1-chloroisoquinoline34551-41-2 6-Bromo-3-chloroisoquinoline552331-06-3 6-Bromo-4-chloroquinoline65340-70-7 4-Bromo-1-chloroisoquinoline66728-98-1 7-Bromo-4-chloroquinoline75090-52-7

Elsewhere

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