Basic information
- CAS
677-70-3- Standard SMILES
OC(O)(C(F)(Cl)Cl)C(F)(Cl)Cl- InChIKey
ADCWDJKTUIBCPQ-UHFFFAOYSA-N- Molecular formula
- C3H2Cl4F2O2
- Average molar mass
- 249.8 g/mol
- Monoisotopic mass
- 247.877696
Names & identifiers
- Preferred name
- 2,2-Propanediol, 1,1,3,3-tetrachloro-1,3-difluoro-
- IUPAC
- 1,1,3,3-tetrachloro-1,3-difluoropropane-2,2-diol
- English name
- 1,1,3,3-Tetrachloro-1,3-difluoro-2,2-propanediol
- Molecular formula
- C3H2Cl4F2O2
- Molecular weight
- 249.86
Names & synonyms
677-70-32,2-Propanediol, 1,1,3,3-tetrachloro-1,3-difluoro-DTXSID0060983RefChem:441541DTXCID10449881,1,3,3-tetrachloro-1,3-difluoropropane-2,2-diolADCWDJKTUIBCPQ-UHFFFAOYSA-N1,1,3,3-Tetrachloro-1,3-difluoro-2,2-propanediol
Database identifiers
- CAS
677-70-3- PubChem CID
- 69616
- DTXSID
DTXSID0060983- Nikkaji
- J421.520F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 106 °C · 106 °C
- Density
- 1.927 · 1.927±0.06 g/cm3(Predicted)
- pka
- 8 · 8.00±0.50(Predicted)
- EPA Substance Registry System
- 2 · 2,2-Propanediol, 1,1,3,3-tetrachloro-1,3-difluoro- (677-70-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,2-Propanediol, 1,1,3,3-tetrachloro-1,3-difluoro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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