7-Bromo-1-chloroisoquinoline

C₉H₅BrClNCAS 215453-51-3242.50 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 swallowed88.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H319 Causes serious eye irritation11.4% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

215453-51-3

SMILES

C1=CC(=CC2=C1C=CN=C2Cl)Br

InChIKey

UMSWWSIVPWVJOX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 7-Bromo-1-chloroisoquinoline

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-quinazoline38267-96-854 % similar 1-Chloroisoquinoline19493-44-853 % similar 7-Bromo-4-chloroquinazoline573675-55-550 % similar 1,6-Dichloro-isoquinoline630421-73-749 % similar 6-Bromo-2,4-dichloroquinazoline102393-82-846 % similar 6-Bromo-1-isoquinolinamine215453-26-246 % similar 3-Bromophenanthrene715-50-445 % similar 4-Bromo-2-chloropyridine73583-37-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

8-Bromo-2-chloroquinoline163485-86-7 6-Bromo-2-chloroquinoline1810-71-5 6-Bromo-1-chloro-isoquinoline205055-63-6 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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