3-Bromoquinoline

C9H6BrNCAS 5332-24-1208.06 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
13.3 °C
Boiling point
275 °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 47 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
5332-24-1
SMILES
Brc1cnc2ccccc2c1
InChIKey
ZGIKWINFUGEQEO-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H

Weigh it out

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

Names and synonyms

3 names
  • Quinoline, 3-bromo-
  • NSC 3995
  • Quinolin-3-yl bromide

Work with 3-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

6-Bromoquinoline5332-25-257 % similar 3,8-Dibromophenanthroline100125-12-054 % similar 3-Aminoquinoline580-17-653 % similar 3-Hydroxyquinoline580-18-753 % similar 3-Methylquinoline612-58-853 % similar 3-Chloroquinoline612-59-953 % similar 3-Bromo-1,10-phenanthroline66127-01-352 % similar 3-Quinolinecarbonitrile34846-64-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromoisoquinoline1532-71-4 4-Bromoisoquinoline1532-97-4 8-Bromoquinoline16567-18-3 2-Bromoquinoline2005-43-8 3-Bromoisoquinoline34784-02-6 5-Bromoisoquinoline34784-04-8 6-Bromoisoquinoline34784-05-9 4-Bromoquinoline3964-04-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook