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CAS No.: | 34773-51-8 |
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Name: | 1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanone |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H2BrF3OS |
Molecular Weight: | 259.046 |
Synonyms: | Ethanone, 1-(5-bromo-2-thienyl)-2,2,2-trifluoro-; |
Density: | 1.811 g/cm3 |
Boiling Point: | 254.6 °C at 760 mmHg |
Flash Point: | 107.8 °C |
PSA: | 45.31000 |
LogP: | 3.25560 |
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The 2-Bromo-5-trifluoroacetylthiophene, with the CAS registry number 34773-51-8, is also known as Ethanone, 1-(5-bromo-2-thienyl)-2, 2, 2-trifluoro-. This chemical's molecular formula is C6H2BrF3OS and molecular weight is 259.0436896. What's more, its IUPAC name is 1-(5-Bromothiophen-2-yl)-2, 2, 2-trifluoroethanone.
Physical properties about 2-Bromo-5-trifluoroacetylthiophene are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 69.8; (6)ACD/BCF (pH 7.4): 69.8; (7)ACD/KOC (pH 5.5): 726.84; (8)ACD/KOC (pH 7.4): 726.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 42.81 cm3; (15)Molar Volume: 143 cm3; (16)Polarizability: 16.97×10-24 cm3; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 1.811 g/cm3; (19)Flash Point: 107.8 °C; (20)Enthalpy of Vaporization: 49.2 kJ/mol; (21)Boiling Point: 254.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0171 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Br)s1)C(F)(F)F
(2) InChI: InChI=1/C6H2BrF3OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2H
(3) InChIKey: QXMOQHVZCMIYOZ-UHFFFAOYAQ