1-Bromobicyclo[3.3.1]nonan-3-one
Basic information
- CAS
66077-98-3- Standard SMILES
O=C1CC2CCCC(Br)(C1)C2- InChIKey
QPXRGUYAQFPXGX-UHFFFAOYSA-N- Molecular formula
- C9H13BrO
- Average molar mass
- 217.1 g/mol
- Monoisotopic mass
- 216.01498
Names & identifiers
- Preferred name
- 1-Bromobicyclo[3.3.1]nonan-3-one
- IUPAC
- 1-bromobicyclo[3.3.1]nonan-3-one
Names & synonyms
1-bromobicyclo[3.3.1]nonan-3-one66077-98-31-bromobicyclo(3.3.1)nonan-3-oneRefChem:430728988-657-8starbld0046667SCHEMBL1848719RCA07798EN300-6479380InChI=1/C9H13BrO/c10-9-3-1-2-7(5-9)4-8(11)6-9/h7H,1-6H
Database identifiers
- CAS
66077-98-3- PubChem CID
- 12426258
- EC Number
- 988-657-8
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 190
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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