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| CAS No.: | 1245643-36-0 |
|---|---|
| Name: | Ethyl2,2-difluoro-2-(thiophen-3-yl)acetate |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H8F2O2S |
| Molecular Weight: | 206.2097 |
| Synonyms: | Ethyl difluoro(3-thienyl)acetate; |
| Density: | 1.289 g/cm3 |
| Boiling Point: | 238.864 °C at 760 mmHg |
| Flash Point: | 98.262 °C |
| PSA: | 54.54000 |
| LogP: | 2.40300 |
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Specification
The Ethyl 2, 2-difluoro-2-(thiophen-3-yl)acetate, with the CAS registry number 1245643-36-0, is also known as Ethyl difluoro(3-thienyl)acetate. This chemical's molecular formula is C8H8F2O2S and molecular weight is 206.2097. What's more, its systematic name is Ethyl 2, 2-difluoro-2-(3-thienyl)acetate.
Physical properties about Ethyl 2, 2-difluoro-2-(thiophen-3-yl)acetate are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.708; (4)ACD/LogD (pH 7.4): 2.708; (5)ACD/BCF (pH 5.5): 67.358; (6)ACD/BCF (pH 7.4): 67.358; (7)ACD/KOC (pH 5.5): 708.556; (8)ACD/KOC (pH 7.4): 708.556; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 45.127 cm3; (15)Molar Volume: 159.978 cm3; (16)Polarizability: 17.89×10-24 cm3; (17)Surface Tension: 32.584 dyne/cm; (18)Density: 1.289 g/cm3; (19)Flash Point: 98.262 °C; (20)Enthalpy of Vaporization: 47.573 kJ/mol; (21)Boiling Point: 238.864 °C at 760 mmHg; (22)Vapour Pressure: 0.041 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)C(c1ccsc1)(F)F
(2) InChI: InChI=1/C8H8F2O2S/c1-2-12-7(11)8(9,10)6-3-4-13-5-6/h3-5H,2H2,1H3
(3) InChIKey: BYVCTNGFRFNBHV-UHFFFAOYAK