Basic information
- CAS
67226-85-1- Standard SMILES
O=[N+]([O-])C(Cl)(Cl)C(Cl)(Cl)[N+](=O)[O-]- InChIKey
VDUMCAJVLOJOCK-UHFFFAOYSA-N- Molecular formula
- C2Cl4N2O4
- Average molar mass
- 257.8 g/mol
- Monoisotopic mass
- 255.861217
Names & identifiers
- Preferred name
- Tetrachlorodinitroethane
- IUPAC
- 1,1,2,2-tetrachloro-1,2-dinitroethane
Names & synonyms
tetrachlorodinitroethane67226-85-1DTXSID60217536RefChem:1099627DTXCID101400271,1,2,2-Tetrachloro-1,2-dinitroethaneEthane, 1,2-dinitro-1,1,2,2-tetrachloro-BRN 1712091NSC110925SCHEMBL5574571NSC 110925NSC-110925
Show more names
Ethane,1,2,2-tetrachloro-1,2-dinitro-Ethane,2-dinitro-1,1,2,2-tetrachloro-DS-007534Ethane, 1, 2-dinitro-1,1,2,2-tetrachloro-Q9357659
Database identifiers
- CAS
67226-85-1- PubChem CID
- 97280
- DTXSID
DTXSID60217536- Nikkaji
- J71.407K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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