Basic information
- CAS
594-77-4- Standard SMILES
CC(C)(C)C(C)(Br)Br- InChIKey
SAJVFWRGLXVNOL-UHFFFAOYSA-N- Molecular formula
- C6H12Br2
- Average molar mass
- 243.97 g/mol
- Monoisotopic mass
- 241.93058
Names & identifiers
- Preferred name
- 2,2-Dibromo-3,3-dimethylbutane
- IUPAC
- 2,2-dibromo-3,3-dimethylbutane
- English name
- 3,3-Dibromo-2,2-dimethylbutane
- Molecular formula
- C6H12Br2
- Molecular weight
- 243.97
Names & synonyms
2,2-dibromo-3,3-dimethylbutane594-77-4DTXSID70566300RefChem:1059066DTXCID305170753,3-Dibromo-2,2-dimethylbutaneButane, 2,2-dibromo-3,3-dimethyl-
Database identifiers
- CAS
594-77-4- PubChem CID
- 14972751
- DTXSID
DTXSID70566300- Nikkaji
- J79.689A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 79
Physicochemical properties
- Boiling point
- 172.9 · 172.9±8.0 °C(Predicted)
- Density
- 1.583 · 1.583±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…