6-Bromo-2-chloroquinoline

C₉H₅BrClNCAS 1810-71-5242.50 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 swallowed16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1810-71-5

SMILES

C1=CC2=C(C=CC(=N2)Cl)C=C1Br

InChIKey

YXRDWUJAJLDABJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

6-Bromo-2-chloro-quinoline

Work with 6-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

7-Bromo-2-chloro-quinoline99455-15-976 % similar 2,6-Dichloroquinoline1810-72-661 % similar 2-Chloro-6-methylquinoline4295-11-858 % similar 6-Bromo-2-methylquinoline877-42-958 % similar 6-Bromo-2-chloroquinoxaline55687-02-056 % similar 6-Bromo-2-chloroquinazoline882672-05-156 % similar 7-Bromo-2-chloroquinoxaline89891-65-656 % similar 2-Chloroquinoline612-62-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

8-Bromo-2-chloroquinoline163485-86-7 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

PubChem CAS Common Chemistry NIST WebBook