Basic information
- CAS
21428-76-2- Standard SMILES
CC1(C)C(Br)C(=O)C(Br)C(=O)C1Br- InChIKey
UWWRZBDXGUUGIN-UHFFFAOYSA-N- Molecular formula
- C8H9Br3O2
- Average molar mass
- 376.87 g/mol
- Monoisotopic mass
- 373.81527
Names & identifiers
- Preferred name
- 2,4,6-Tribromo-5,5-dimethylcyclohexane-1,3-dione
- IUPAC
- 2,4,6-tribromo-5,5-dimethylcyclohexane-1,3-dione
- English name
- 2,4,6-Tribromo-5,5-dimethylcyclohexane-1,3-dione
- Molecular formula
- C8H9Br3O2
- Molecular weight
- 376.87
Names & synonyms
2,4,6-tribromo-5,5-dimethylcyclohexane-1,3-dione21428-76-21,3-Cyclohexanedione,2,4,6-tribromo-5,5-dimethyl-DTXSID803803521,3-Cyclohexanedione, 2,4,6-tribromo-5,5-dimethyl-
Database identifiers
- CAS
21428-76-2- PubChem CID
- 2777053
- DTXSID
DTXSID80380352
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 186 °C · 186 °C
- Boiling point
- 359.4 · 359.4±42.0 °C(Predicted)
- Density
- 2.082 · 2.082±0.06 g/cm3(Predicted)
- pka
- 0.17 · 0.17±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…