Bromocyclohexane
Properties
- Molecular formula
- C6H11Br
- Molar mass
- 163.06 g/mol
- Exact mass
- 162.0044 Da
- Density
- 1.3332 g/mL (at 20.1 °C)
- Melting point
- −56.5 °C
- Boiling point
- 166.2 °C
- logP
- 2.71Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H227 Combustible liquid11.1% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
- H411 Toxic to aquatic life with long lasting effects22.2% of notifiers
Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, P501
Identifiers
CAS number
108-85-0SMILES
BrC1CCCCC1InChIKey
AQNQQHJNRPDOQV-UHFFFAOYSA-NInChI
InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Cyclohexane, bromo-
- Cyclohexyl bromide
- 1-Bromocyclohexane
- NSC 11207
Work with Bromocyclohexane
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
Bromocyclooctane1556-09-8100 % similar
Bromocycloheptane2404-35-5100 % similar
Bromocyclopentane137-43-992 % similar
Bromocyclobutane4399-47-777 % similar
Bromocyclopropane4333-56-662 % similar
4-Bromotetrahydropyran25637-16-544 % similar
1,2-Dibromocyclohexane5401-62-744 % similar
trans-1,2-Dibromocyclohexane7429-37-044 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds