Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,3-Cyclohexanedione,2,2-difluoro- |
EINECS | N/A |
CAS No. | 183742-84-9 | Density | 1.294 g/cm3 |
PSA | 43.37000 | LogP | 0.87950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H6F2O2 | Boiling Point | 177.091 °C at 760 mmHg |
Molecular Weight | 148.109 | Flash Point | 64.353 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,2-Difluoro-1,3-cyclohexanedione monohydrate;2,2-Difluorocyclohexane-1,3-dione; |
Article Data | 2 |
The 1,3-Cyclohexanedione,2,2-difluoro- has the CAS registry number 183742-84-9. This chemical's molecular formula is C6H6F2O2 and molecular weight is 148.11. What's more, its systematic name is 2,2-Difluorocyclohexane-1,3-dione.
Physical properties of 1,3-Cyclohexanedione,2,2-difluoro- are: (1)ACD/LogP: -1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14; (8)ACD/KOC (pH 7.4): 14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 28.257 cm3; (15)Molar Volume: 114.47 cm3; (16)Polarizability: 11.202×10-24 cm3; (17)Surface Tension: 28.981 dyne/cm; (18)Density: 1.294 g/cm3; (19)Flash Point: 64.353 °C; (20)Enthalpy of Vaporization: 41.34 kJ/mol; (21)Boiling Point: 177.091 °C at 760 mmHg; (22)Vapour Pressure: 1.058 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC1(F)C(=O)CCCC1=O
(2)InChI: InChI=1S/C6H6F2O2/c7-6(8)4(9)2-1-3-5(6)10/h1-3H2
(3)InChIKey: PVTBNNITMZRWTO-UHFFFAOYSA-N