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| CAS No.: | 773101-62-5 |
|---|---|
| Name: | 2-(3,4-DIFLUOROPHENYL)-1,3-DIOXOLANE |
| Molecular Structure: | |
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| Formula: | C9H8F2O2 |
| Molecular Weight: | 186.1554 |
| Synonyms: | 2-(3,4-DIFLUOROPHENYL)-1,3-DIOXOLANE;RARECHEM AL BP 0215 |
| Density: | 1.298 g/cm3 |
| Boiling Point: | 228.1 °C at 760 mmHg |
| Flash Point: | 98.6 °C |
| PSA: | 18.46000 |
| LogP: | 2.01020 |
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Specification
The CAS registry number of 1,3-Dioxolane,2-(3,4-difluorophenyl)- is 773101-62-5. This chemical's molecular formula is C9H8F2O2 and molecular weight is 186.1554. What's more, its systematic name is 2-(3,4-Difluorophenyl)-1,3-dioxolane.
Physical properties about 1,3-Dioxolane,2-(3,4-difluorophenyl)- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 18.46 Å2; (9)Index of Refraction: 1.49; (10)Molar Refractivity: 41.47 cm3; (11)Molar Volume: 143.4 cm3; (12)Polarizability: 16.44×10-24 cm3; (13)Surface Tension: 38.3 dyne/cm; (14)Density: 1.298 g/cm3; (15)Flash Point: 98.6 °C; (16)Enthalpy of Vaporization: 44.58 kJ/mol; (17)Boiling Point: 228.1 °C at 760 mmHg; (18)Vapour Pressure: 0.112 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1C2OCCO2)F)F
(2) InChI: InChI=1/C9H8F2O2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
(3) InChIKey: JDIKHNSLOQHKLX-UHFFFAOYAB