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2,4-Pentanedione,1,1-difluoro-

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Name

2,4-Pentanedione,1,1-difluoro-

EINECS N/A
CAS No. 41739-23-5 Density 1.167 g/cm3
PSA 34.14000 LogP 0.79970
Solubility N/A Melting Point N/A
Formula C5H6F2O2 Boiling Point 151.9 °C at 760 mmHg
Molecular Weight 136.098 Flash Point 53.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 41739-23-5 (1,1-DIFLUOROACETYLACETONE) Hazard Symbols FlammableF,IrritantXi
Synonyms

1,1-Difluoro-2,4-pentanedione;1,1-Difluoroacetylacetone;

 

2,4-Pentanedione,1,1-difluoro- Specification

The 2,4-Pentanedione,1,1-difluoro-, with the CAS registry number 41739-23-5, is also known as 1,1-Difluoroacetylacetone. This chemical's molecular formula is C5H6F2O2 and molecular weight is 136.1. What's more, its IUPAC name is 1,1-difluoropentane-2,4-dione.

Physical properties of 2,4-Pentanedione,1,1-difluoro- are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 3.33; (6)ACD/BCF (pH 7.4): 1.81; (7)ACD/KOC (pH 5.5): 82.02; (8)ACD/KOC (pH 7.4): 44.61; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.357; (14)Molar Refractivity: 25.55 cm3; (15)Molar Volume: 116.5 cm3; (16)Polarizability: 10.13×10-24cm3; (17)Surface Tension: 23.8 dyne/cm; (18)Density: 1.167 g/cm3; (19)Flash Point: 53.1 °C; (20)Enthalpy of Vaporization: 38.87 kJ/mol; (21)Boiling Point: 151.9 °C at 760 mmHg; (22)Vapour Pressure: 3.59 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC(=O)C(F)F
(2)InChI: InChI=1S/C5H6F2O2/c1-3(8)2-4(9)5(6)7/h5H,2H2,1H3
(3)InChIKey: XUGVULWHXORSOM-UHFFFAOYSA-N

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