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

Name
1,1-DIFLUOROACETYLACETONE
EINECS
CAS No. 41739-23-5
Density 1.167 g/cm³
Solubility
Melting Point
Formula C₅H₆F₂O₂
Boiling Point 151.9 °C at 760 mmHg
Molecular Weight 136.098
Flash Point 53.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols F,Xi
Synonyms 1,1-Difluoro-2,4-pentanedione;1,1-Difluoroacetylacetone;
PSA 34.14000
LogP 0.79970

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

Product Name

1,1-DIFLUOROACETYLACETONE

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

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