![]() |
Basic Information |
![]() |
Post buying leads |
![]() |
Suppliers |
![]() |
Cas Database |
Name |
3-Methylphenyl (trifluoromethyl) sulfide |
EINECS | N/A |
CAS No. | 705-46-4 | Density | 1.25 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H7F3S | Boiling Point | 129.5 °C at 760 mmHg |
Molecular Weight | 192.205 | Flash Point | 32.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure |
|
Hazard Symbols | N/A |
Synonyms |
1-Methyl-3-[(trifluoromethyl)sulfanyl]benzene; |
Article Data | 9 |
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