Basic information
- CAS
16536-57-5- Standard SMILES
O[C@H]1CCCC[C@H]1Br- InChIKey
AAMCLCZHZXKWRV-RITPCOANSA-N- Molecular formula
- C6.H11.Br.O
- Average molar mass
- 179.05 g/mol
- Monoisotopic mass
- 177.99933
Overview
See also: rac-(1R,2R)-2-bromocyclohexan-1-ol (annotation moved to).
Names & identifiers
- Preferred name
- rel-(1R,2S)-2-Bromocyclohexanol
- IUPAC
- cis-(1S,2R)-2-bromocyclohexan-1-ol
- English name
- Bromocyclohexanol, Cis-2-
- Molecular formula
- C6H11BrO
- Molecular weight
- 179.05
Names & synonyms
16536-57-5RefChem:1097979rel-(1R,2S)-2-Bromocyclohexanol(1S,2R)-2-bromocyclohexan-1-olcis-2-BromocyclohexanolCyclohexanol, 2-bromo-, cis-869476-04-0(1S,2R)-2-BROMO-CYCLOHEXANOL2425-33-4Bromocyclohexanol, Cis-2-2-Bromocyclohexanol, (Z)DTXSID60937080
Show more names
Cyclohexanol, 2-bromo-, (1R,2S)-rel-
AAMCLCZHZXKWRV-RITPCOANSA-NAKOS006331129
Database identifiers
- CAS
16536-57-5- PubChem CID
- 85481
- DTXSID
DTXSID60937080- Nikkaji
- J411.658E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
Density1.4604 @ 20°C
Physicochemical properties
- Melting point
- 34 °C · 34 °C
- Boiling point
- 55 °C · 55 °C(Press: 2 Torr)
- Density
- 1.52 · 1.520±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.304 · 14.304±0.40(predicted)
- EPA Substance Registry System
- -2 · cis-2-Bromocyclohexanol (16536-57-5)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety & protection
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
79 [mg/m3]
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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