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2-[(Trifluoromethyl)sulfinyl]-1,1'-biphenyl

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Name

2-[(Trifluoromethyl)sulfinyl]-1,1'-biphenyl

EINECS N/A
CAS No. 129922-49-2 Density 1.402 g/cm3
PSA 36.28000 LogP 4.84670
Solubility N/A Melting Point N/A
Formula C13H9F3OS Boiling Point 359.68 °C at 760 mmHg
Molecular Weight 270.275 Flash Point 171.329 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 129922-49-2 (2-[(Trifluoromethyl)sulfinyl]-1,1'-biphenyl) Hazard Symbols N/A
Synonyms

2-[(Trifluoromethyl)sulfinyl]-1,1'-biphenyl;

Article Data 6

2-[(Trifluoromethyl)sulfinyl]-1,1'-biphenyl Specification

The 2-[(Trifluoromethyl)sulfinyl]-1,1'-biphenyl, with CAS registry number 129922-49-2, has the systematic name of 2-[(trifluoromethyl)sulfinyl]biphenyl. Besides this, it is also called Biphenyl-2-yl trifluoromethyl sulfoxide and 1,1'-biphenyl, 2-[(trifluoromethyl)sulfinyl]-. And the chemical formula of this chemical is C13H9F3OS.

Physical properties of 2-[(Trifluoromethyl)sulfinyl]-1,1'-biphenyl: (1)ACD/LogP: 5.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 715; (6)ACD/BCF (pH 7.4): 715; (7)ACD/KOC (pH 5.5): 3845; (8)ACD/KOC (pH 7.4): 3845; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.28 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 65.325 cm3; (15)Molar Volume: 192.735 cm3; (16)Polarizability: 25.897×10-24cm3; (17)Surface Tension: 49.97 dyne/cm; (18)Enthalpy of Vaporization: 58.146 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)S(=O)c2ccccc2c1ccccc1
(2)InChI: InChI=1/C13H9F3OS/c14-13(15,16)18(17)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
(3)InChIKey: CLDLXLKMMYJIEK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H9F3OS/c14-13(15,16)18(17)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
(5)Std. InChIKey: CLDLXLKMMYJIEK-UHFFFAOYSA-N

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