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1,3-Cyclohexanedione,2,2-difluoro-

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Name

1,3-Cyclohexanedione,2,2-difluoro-

EINECS
CAS No. 183742-84-9 Density 1.294 g/cm3
Solubility Melting Point
Formula C6H6F2O2 Boiling Point 177.091 °C at 760 mmHg
Molecular Weight 148.11 Flash Point 64.353 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 183742-84-9 (1,3-Cyclohexanedione,2,2-difluoro-) Hazard Symbols
Synonyms

2,2-Difluoro-1,3-cyclohexanedione monohydrate;2,2-Difluorocyclohexane-1,3-dione;

 

1,3-Cyclohexanedione,2,2-difluoro- Specification

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

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