CAS No.220239-66-7,3-(TRIFLUOROMETHOXY)THIOPHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	220239-66-7
Name:	3-(TRIFLUOROMETHOXY)THIOPHENOL

Formula:	C₇H₅F₃OS
Molecular Weight:	194.177
Synonyms:	3-(Trifluoromethoxy)thiophenol 97%;
EINECS:	-0
Density:	1.363 g/cm³
Boiling Point:	181.1 °C at 760 mmHg
Flash Point:	63.3 °C
Solubility:	Not miscible in water.
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	23-26-36/37/39
PSA:	48.03000
LogP:	2.87390

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Specification

The Benzenethiol,3-(trifluoromethoxy)-, with the CAS registry number of 220239-66-7, is also known as 3-(Trifluoromethoxy)thiophenol 97%. It belongs to the product category of Aromatic Phenols. This chemical's molecular formula is C₇H₅F₃OS and molecular weight is 194.17. What's more, its systematic name is 3-(Trifluoromethoxy)benzenethiol. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Benzenethiol,3-(trifluoromethoxy)- are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 183.15; (6)ACD/BCF (pH 7.4): 5.88; (7)ACD/KOC (pH 5.5): 1254.68; (8)ACD/KOC (pH 7.4): 40.28; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.53 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 41.56 cm³; (15)Molar Volume: 142.4 cm³; (16)Surface Tension: 30.9 dyne/cm; (17)Density: 1.363 g/cm³; (18)Flash Point: 63.3 °C; (19)Enthalpy of Vaporization: 40.02 kJ/mol; (20)Boiling Point: 181.1 °C at 760 mmHg; (21)Vapour Pressure: 1.18 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. It is harmful by inhalation, in contact with skin and if swallowed. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)Oc1cc(S)ccc1
(2) InChI: InChI=1/C7H5F3OS/c8-7(9,10)11-5-2-1-3-6(12)4-5/h1-4,12H
(3) InChIKey: GEJGGOYNWFQKKH-UHFFFAOYAB