Heptane, 1,1,7,7-tetrachloro-
Basic information
- CAS
71570-98-4- Standard SMILES
ClC(Cl)CCCCCC(Cl)Cl- InChIKey
PLTQHBFEOUUGNO-UHFFFAOYSA-N- Molecular formula
- C7H12Cl4
- Average molar mass
- 238 g/mol
- Monoisotopic mass
- 235.969311
Names & identifiers
- Preferred name
- Heptane, 1,1,7,7-tetrachloro-
- IUPAC
- 1,1,7,7-tetrachloroheptane
- English name
- 1,1,7,7-Tetrachloroheptane
- Molecular formula
- C7H12Cl4
- Molecular weight
- 237.98
Names & synonyms
1,1,7,7-TetrachloroheptaneBRN 1921533HEPTANE, 1,1,7,7-TETRACHLORO-71570-98-4DTXSID60221799RefChem:347221DTXCID401442901,7-tetrachloroheptaneSCHEMBL2568120
Database identifiers
- CAS
71570-98-4- PubChem CID
- 51353
- DTXSID
DTXSID60221799- Nikkaji
- J58.119D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 72.5
Physicochemical properties
- Boiling point
- 80 · 80-82 °C(Press: 0.2 Torr)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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