8-Bromoquinoline

C9H6BrNCAS 16567-18-3208.06 g/mol

Open in Covalent MOL file
BrN
Aryl halide

Properties

Molecular formula
C9H6BrN
Molar mass
208.06 g/mol
Exact mass
206.9684 Da
Melting point
80 °C
Boiling point
302 °C
logP
3.00Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
16567-18-3
SMILES
Brc1cccc2cccnc12
InChIKey
PIWNKSHCLTZKSZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H

Weigh it out

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

Names and synonyms

1 names
  • Quinoline, 8-bromo-

Work with 8-Bromoquinoline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,10-Phenanthroline66-71-761 % similar 5-Bromo-1,10-phenanthroline40000-20-257 % similar 8-Chloroquinoline611-33-656 % similar 8-Bromo-5-fluoroquinoline917251-99-155 % similar 1,10-Phenanthroline hydrochloride3829-86-554 % similar 4,5-Phenanthroline monohydrate5144-89-854 % similar 8-Iodo quinoline1006-47-954 % similar 8-Hydroxyquinoline148-24-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromoisoquinoline1532-71-4 4-Bromoisoquinoline1532-97-4 2-Bromoquinoline2005-43-8 3-Bromoisoquinoline34784-02-6 5-Bromoisoquinoline34784-04-8 6-Bromoisoquinoline34784-05-9 4-Bromoquinoline3964-04-3 5-Bromoquinoline4964-71-0

Elsewhere

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