2,2-Dichlorohexane
Basic information
- CAS
42131-89-5- Standard SMILES
CCCCC(C)(Cl)Cl- InChIKey
SJDNOQZXJRUKDE-UHFFFAOYSA-N- Molecular formula
- C6H12Cl2
- Average molar mass
- 155.06 g/mol
- Monoisotopic mass
- 154.0316058
Names & identifiers
- Preferred name
- 2,2-Dichlorohexane
- IUPAC
- 2,2-dichlorohexane
- English name
- 2,2-dichlorohexane
- Molecular formula
- 42131-89-5
- Molecular weight
- 0
Names & synonyms
2,2-dichlorohexane42131-89-5DTXSID70334546RefChem:1059086DTXCID802856362,2-dichloro-hexaneHexane, 2,2-dichloro-SCHEMBL5711488SCHEMBL7780103
Database identifiers
- CAS
42131-89-5- PubChem CID
- 521085
- DTXSID
DTXSID70334546- Nikkaji
- J97.422F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 59.5
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -48.02 °C · -48.02°C (estimate)
- Boiling point
- 175.06 °C · 175.06°C (estimate)
- Density
- 1.015 · 1.0150
- refractive index
- 1.4353 · 1.4353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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