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705-46-4

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Basic Information
CAS No.: 705-46-4
Name: 3-Methylphenyl (trifluoromethyl) sulfide
Article Data: 9
Molecular Structure:
Molecular Structure of 705-46-4 (3-Methylphenyl (trifluoromethyl) sulfide)
Formula: C8H7F3S
Molecular Weight: 192.205
Synonyms: 1-Methyl-3-[(trifluoromethyl)sulfanyl]benzene;
Density: 1.25 g/cm3
Boiling Point: 129.5 °C at 760 mmHg
Flash Point: 32.1 °C
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Specification

The chemical with CAS registry number of 705-46-4 is known as 3-Methylphenyl (trifluoromethyl) sulfide. The systematic name is 1-Methyl-3-[(trifluoromethyl)sulfanyl]benzene. In addition, the formula is C8H7F3S and the molecular weight is 192.20.

Physical properties about 3-Methylphenyl (trifluoromethyl) sulfide are: (1)ACD/LogP: 4.03; (2)ACD/LogD (pH 5.5): 4.03; (3)ACD/LogD (pH 7.4): 4.03; (4)ACD/BCF (pH 5.5): 679.39; (5)ACD/BCF (pH 7.4): 679.39; (6)ACD/KOC (pH 5.5): 3705.36; (7)ACD/KOC (pH 7.4): 3705.36; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.493; (10)Molar Refractivity: 44.38 cm3; (11)Molar Volume: 152.6 cm3; (12)Surface Tension: 30.2 dyne/cm; (13)Density: 1.25 g/cm3; (14)Flash Point: 32.1 °C; (15)Enthalpy of Vaporization: 35.2 kJ/mol; (16)Boiling Point: 129.5 °C at 760 mmHg; (17)Vapour Pressure: 12.4 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: FC(F)(F)Sc1cc(C)ccc1
2. InChI: InChI=1/C8H7F3S/c1-6-3-2-4-7(5-6)12-8(9,10)11/h2-5H,1H3
3. InChIKey: OQSOGROLOBOKFI-UHFFFAOYAX
4. Std. InChI: InChI=1S/C8H7F3S/c1-6-3-2-4-7(5-6)12-8(9,10)11/h2-5H,1H3
5. Std. InChIKey: OQSOGROLOBOKFI-UHFFFAOYSA-N