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64287-17-8

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Basic Information
CAS No.: 64287-17-8
Name: 1-(2,4-DIFLUOROPHENYL)BUTANE-1,3-DIONE
Article Data: 2
Molecular Structure:
Molecular Structure of 64287-17-8 (1-(2,4-DIFLUOROPHENYL)BUTANE-1,3-DIONE)
Formula: C10H8F2O2
Molecular Weight: 198.169
Synonyms: 1-(2,4-Difluorophenyl)-1,3-butanedione;
Density: 1.242 g/cm3
Boiling Point: 270.4 °C at 760 mmHg
Flash Point: 103.4 °C
PSA: 34.14000
LogP: 2.12660
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Specification

The 1,3-Butanedione,1-(2,4-difluorophenyl)- has the CAS registry number 64287-17-8. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C10H8F2O2 and molecular weight is 198.17. What's more, its systematic name is 1-(2,4-Difluorophenyl)butane-1,3-dione.

Physical properties of 1,3-Butanedione,1-(2,4-difluorophenyl)- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.23; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 34.14 Å2; (9)Index of Refraction: 1.483; (10)Molar Refractivity: 45.56 cm3; (11)Molar Volume: 159.5 cm3; (12)Polarizability: 18.06×10-24 cm3; (13)Surface Tension: 36.2 dyne/cm; (14)Density: 1.242 g/cm3; (15)Flash Point: 103.4 °C; (16)Enthalpy of Vaporization: 50.86 kJ/mol; (17)Boiling Point: 270.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00684 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid ethyl ester and 1-(2,4-difluoro-phenyl)-ethanone at the temperature of 0 °C. This reaction will need reagent 2 M sodamide and solvent diethyl ether with the reaction time of 1 hour. The yield is about 58%.

1,3-Butanedione,1-(2,4-difluorophenyl)- can be prepared by acetic acid ethyl ester and 1-(2,4-difluoro-phenyl)-ethanone at the temperature of 0 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC(=O)C1=C(C=C(C=C1)F)F
(2)InChI: InChI=1S/C10H8F2O2/c1-6(13)4-10(14)8-3-2-7(11)5-9(8)12/h2-3,5H,4H2,1H3
(3)InChIKey: RJMFODAPVGCRSX-UHFFFAOYSA-N