6-Bromoquinoline
Properties
- Molecular formula
- C9H6BrN
- Molar mass
- 208.06 g/mol
- Exact mass
- 206.9684 Da
- Melting point
- 24 °C
- Boiling point
- 281 °C
- logP
- 3.00Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed97.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage95.5% of notifiers
- H335 May cause respiratory irritation97.7% 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+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5332-25-2SMILES
Brc1ccc2ncccc2c1InChIKey
IFIHYLCUKYCKRH-UHFFFAOYSA-NInChI
InChI=1S/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Quinoline, 6-bromo-
- NSC 3996
Work with 6-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
7-Bromoquinoline4965-36-071 % similar
6-Hydroxyquinoline580-16-560 % similar
6-Bromoquinoxaline50998-17-957 % similar
3-Bromoquinoline5332-24-157 % similar
6-Iodoquinoline13327-31-655 % similar
6-Fluoroquinoline396-30-555 % similar
6-Aminoquinoline580-15-455 % similar
6-Chloroquinoline612-57-755 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.