Basic information
- CAS
39261-18-2- Standard SMILES
O=C1CCCCCCC1Br- InChIKey
NOOBPZPTDOIEMT-UHFFFAOYSA-N- Molecular formula
- C8H13BrO
- Average molar mass
- 205.09 g/mol
- Monoisotopic mass
- 204.01498
Names & identifiers
- Preferred name
- 2-Bromocyclooctan-1-one
- IUPAC
- 2-bromocyclooctan-1-one
Names & synonyms
2-bromocyclooctan-1-one39261-18-2RefChem:467235993-299-02-Bromcyclooctanon2-Bromocyclooctanone #Cyclooctanone, 2-bromo-SCHEMBL11230938NOOBPZPTDOIEMT-UHFFFAOYSA-NPBA26118G53331EN300-1703221
Database identifiers
- CAS
39261-18-2- PubChem CID
- 566652
- EC Number
- 993-299-0
- Nikkaji
- J1.215.333C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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