Basic information
- CAS
425-11-6- Standard SMILES
O=[N+]([O-])C(F)(F)C(F)(Cl)[N+](=O)[O-]- InChIKey
FFFYUJXEAAHXMA-UHFFFAOYSA-N- Molecular formula
- C2ClF3N2O4
- Average molar mass
- 208.48 g/mol
- Monoisotopic mass
- 207.9498687
Names & identifiers
- Preferred name
- 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane
- IUPAC
- 1-chloro-1,2,2-trifluoro-1,2-dinitroethane
- English name
- 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane
- Molecular formula
- C2ClF3N2O4
- Molecular weight
- 208.48
Names & synonyms
1-chloro-1,2,2-trifluoro-1,2-dinitroethane425-11-6DTXSID00962533RefChem:1055205DTXCID201390335TL 192BRN 17120691-Chloro-1,2-dinitro-1,2,2-trifluoroethaneETHANE, 1-CHLORO-1,2-DINITRO-1,2,2-TRIFLUORO-SCHEMBL29889228chlorotrifluoro-1,2-dinitroethaneTL-192
Show more names
Ethane, 1-chloro-1,2,2-trifluoro-1,2-dinitro-
Database identifiers
- CAS
425-11-6- PubChem CID
- 9876
- DTXSID
DTXSID00962533- Nikkaji
- J34.803A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 98 · 98-99 °C(Press: 750 Torr)
- Density
- 1.674 g/cm3 · 1.674 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…