rac-(1R,2S,6R,7R)-8-bromo-3,5-dioxatricyclo(5.2.1.0,2,6)dec-8-ene
Basic information
- CAS
478555-03-2- Standard SMILES
BrC1=C[C@@H]2C[C@H]1[C@@H]1OCO[C@@H]12- InChIKey
YNLUSIIBBYYCTI-LAHCRNKXSA-N- Molecular formula
- C8H9BrO2
- Average molar mass
- 217.06 g/mol
- Monoisotopic mass
- 215.97859
Names & identifiers
- Preferred name
- rac-(1R,2S,6R,7R)-8-bromo-3,5-dioxatricyclo(5.2.1.0,2,6)dec-8-ene
- IUPAC
- (1S,2R,6S,7S)-8-bromo-3,5-dioxatricyclo[5.2.1.02,6]dec-8-ene
Names & synonyms
478555-03-2rac-(1R,2S,6R,7R)-8-bromo-3,5-dioxatricyclo[5.2.1.0,2,6]dec-8-enerac-(1R,2S,6R,7R)-8-bromo-3,5-dioxatricyclo(5.2.1.0,2,6)dec-8-eneRefChem:872916102-173-9EN300-26864060
Database identifiers
- CAS
478555-03-2- PubChem CID
- 11096040
- EC Number
- 102-173-9
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 226
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
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Compound notes
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