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| CAS No.: | 175278-03-2 |
|---|---|
| Name: | 4-(TRIFLUOROMETHOXY)BENZYL MERCAPTAN |
| Molecular Structure: | |
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| Formula: | C8H7F3OS |
| Molecular Weight: | 208.204 |
| Synonyms: | [4-(Trifluoromethoxy)phenyl]methanethiol;4-(Trifluoromethoxy)benzyl mercaptan;4-(Trifluoromethoxy)benzyl thiol;[4-(Trifluoromethoxy)phenyl]methanethiol, 95+%; |
| Density: | 1.299 g/cm3 |
| Boiling Point: | 207.8 °C at 760 mmHg |
| Flash Point: | 79.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 48.03000 |
| LogP: | 3.01500 |
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Specification
The CAS register number of Benzenemethanethiol,4-(trifluoromethoxy)- is 175278-03-2. It also can be called as 4-(Trifluoromethoxy)benzyl mercaptan and the IUPAC name about this chemical is [4-(trifluoromethoxy)phenyl]methanethiol. The molecular formula about this chemical is C8H7F3OS and the molecular weight is 208.2.
Physical properties about Benzenemethanethiol,4-(trifluoromethoxy)- are: (1)ACD/LogP: 3.69; (2)ACD/LogD (pH 5.5): 3.69; (3)ACD/LogD (pH 7.4): 3.68; (4)ACD/BCF (pH 5.5): 375.11; (5)ACD/BCF (pH 7.4): 370.72; (6)ACD/KOC (pH 5.5): 2421.95; (7)ACD/KOC (pH 7.4): 2393.61; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 34.53 Å2; (11)Index of Refraction: 1.488; (12)Molar Refractivity: 46.2 cm3; (13)Molar Volume: 160.1 cm3; (14)Polarizability: 18.31x10-24cm3; (15)Surface Tension: 30.4 dyne/cm; (16)Density: 1.299 g/cm3; (17)Flash Point: 79.4 °C; (18)Enthalpy of Vaporization: 42.59 kJ/mol; (19)Boiling Point: 207.8 °C at 760 mmHg; (20)Vapour Pressure: 0.319 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccc(cc1)CS
(2)InChI: InChI=1/C8H7F3OS/c9-8(10,11)12-7-3-1-6(5-13)2-4-7/h1-4,13H,5H2
(3)InChIKey: VWLQXXSOXQNHJM-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H7F3OS/c9-8(10,11)12-7-3-1-6(5-13)2-4-7/h1-4,13H,5H2
(5)Std. InChIKey: VWLQXXSOXQNHJM-UHFFFAOYSA-N