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Benzenemethanethiol,4-(trifluoromethoxy)-

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Name

Benzenemethanethiol,4-(trifluoromethoxy)-

EINECS N/A
CAS No. 175278-03-2 Density 1.299 g/cm3
PSA 48.03000 LogP 3.01500
Solubility N/A Melting Point N/A
Formula C8H7F3OS Boiling Point 207.8 °C at 760 mmHg
Molecular Weight 208.204 Flash Point 79.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 175278-03-2 (4-(TRIFLUOROMETHOXY)BENZYL MERCAPTAN) Hazard Symbols IrritantXi
Synonyms

[4-(Trifluoromethoxy)phenyl]methanethiol;4-(Trifluoromethoxy)benzyl mercaptan;4-(Trifluoromethoxy)benzyl thiol;[4-(Trifluoromethoxy)phenyl]methanethiol, 95+%;

Article Data 3

Benzenemethanethiol,4-(trifluoromethoxy)- 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

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