3-Bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Basic information
- CAS
114352-31-7- Standard SMILES
CC1(C)C2CCC1(CBr)C(=O)C2Br- InChIKey
XNGJUGUTYMLWIM-UHFFFAOYSA-N- Molecular formula
- C10H14Br2O
- Average molar mass
- 310.03 g/mol
- Monoisotopic mass
- 307.94114
Names & identifiers
- Preferred name
- 3-Bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
- IUPAC
- 3-bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
- English name
- Bicyclo[2.2.1]heptan-2-one, 3-bromo-1-(bromomethyl)-7,7-dimethyl-
- Molecular formula
- C10H14Br2O
- Molecular weight
- 310.03
Names & synonyms
3-bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one114352-31-73-Bromo-1-bromomethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-oneF0848-00833-BROMO-1-(BROMOMETHYL)-7,7-DIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE3,10-dibromo-2-bornanoneXNGJUGUTYMLWIM-UHFFFAOYSA-NSMSSF-0061659SBB040148AKOS000271611AKOS016039361(1R,3S,4S)-3-bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Show more names
Bicyclo[2.2.1]heptan-2-one, 3-bromo-1-(bromomethyl)-7,7-dimethyl-
Database identifiers
- CAS
114352-31-7- PubChem CID
- 4130136
- EC Number
- 120-997-7
- Nikkaji
- J52.229E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 114 °C · 114 °C
- Boiling point
- 314.5 · 314.5±17.0 °C(Predicted)
- Density
- 1.689 · 1.689±0.06 g/cm3(Predicted)
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%)
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Related reactions
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Compound notes
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