1-Bromo-3-phenylbicyclo(1.1.1)pentane
Basic information
- CAS
112043-92-2- Standard SMILES
BrC12CC(c3ccccc3)(C1)C2- InChIKey
GAYLHOPBARFKFK-UHFFFAOYSA-N- Molecular formula
- C11H11Br
- Average molar mass
- 223.11 g/mol
- Monoisotopic mass
- 222.00441
Names & identifiers
- Preferred name
- 1-Bromo-3-phenylbicyclo(1.1.1)pentane
- IUPAC
- 1-bromo-3-phenylbicyclo[1.1.1]pentane
Names & synonyms
1-Bromo-3-phenylbicyclo[1.1.1]pentane112043-92-21-Bromo-3-phenylbicyclo(1.1.1)pentaneRefChem:430513898-966-9EN300-26677399EN300-37374210
Database identifiers
- CAS
112043-92-2- PubChem CID
- 85537602
- EC Number
- 898-966-9
- Nikkaji
- J595.552A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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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