Basic information
- CAS
13275-18-8- Standard SMILES
CC(Cl)CCC(C)Cl- InChIKey
RRFNCPBJVPQIPP-UHFFFAOYSA-N- Molecular formula
- C6H12Cl2
- Average molar mass
- 155.06 g/mol
- Monoisotopic mass
- 154.0316058
Names & identifiers
- Preferred name
- 2,5-Dichlorohexane
- IUPAC
- 2,5-dichlorohexane
- English name
- 2,5-Dichlorohexane
- Molecular formula
- C6H12Cl2
- Molecular weight
- 155.07
Names & synonyms
2,5-DICHLOROHEXANE13275-18-8DTXSID50927798RefChem:1060077DTXCID9013565782,5-dichlorohexane, erythroHexane, 2,5-dichloro-, (R*,S*)-Hexane, 2,5-dichloro-41761-11-9SCHEMBL1248824AKOS006278230
Database identifiers
- CAS
13275-18-8、41761-11-9- PubChem CID
- 25823
- DTXSID
DTXSID50927798- Nikkaji
- J81.586A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 46.5
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
- 1.0805 · 1.0805 (estimate)
- refractive index
- 1.4294 · 1.4294 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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