2,2-Difluoro-5,5-dimethyl-1,3-cyclohexanedione monohydrate
Basic information
- CAS
76185-12-1- Standard SMILES
CC1(C)CC(=O)C(F)(F)C(=O)C1.O- InChIKey
KKPJGAPWBYPISG-UHFFFAOYSA-N- Molecular formula
- C8H12F2O3
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.07545056
Names & identifiers
- Preferred name
- 2,2-Difluoro-5,5-dimethyl-1,3-cyclohexanedione monohydrate
- IUPAC
- 2,2-difluoro-5,5-dimethylcyclohexane-1,3-dione;hydrate
- English name
- 2,2-DIFLUORO-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE MONOHYDRATE
- Molecular formula
- C8H10F2O2
- Molecular weight
- 176.16
Names & synonyms
76185-12-12,2-DIFLUORO-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE MONOHYDRATE1314974-61-22,2-Difluoro-5,5-dimethylcyclohexane-1,3-dione hydrate1,3-Cyclohexanedione,2,2-difluoro-5,5-dimethyl-2,2-difluoro-5,5-dimethylcyclohexane-1,3-dione;hydrateDTXSID70703713MFCD09039287AKOS0063321092,2-Difluoro-5,5-dimethylcyclohexane-1,3-dione--water (1/1)2,2-difluoro-5,5-dimethylcyclohexane-1,3-dione1,3-Cyclohexanedione, 2,2-difluoro-5,5-dimethyl-
Database identifiers
- CAS
76185-12-1- PubChem CID
- 53471679
- DTXSID
DTXSID70703713
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 104 · 104-106 °C
- Boiling point
- 192.1 · 192.1±40.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- HS Code
- 2914290090 · 2914290090
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
- hs_code
- 2914290090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…