CAS No.769-40-4,2,3,5,6-TETRAFLUOROTHIOPHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	769-40-4
Name:	2,3,5,6-TETRAFLUOROTHIOPHENOL
Article Data:	11

Formula:	C₆H₂F₄S
Molecular Weight:	182.141
Synonyms:	2,3,5,6-Tetrafluorophenyl hydrosulfide;
EINECS:	212-210-1
Density:	1.532 g/cm³
Boiling Point:	152.6 °C at 760 mmHg
Flash Point:	48.3 °C
Appearance:	clear colorless to pale yellow liquid
Hazard Symbols:	Xi
Risk Codes:	10-36/37/38
Safety:	16-26-36/37/39
PSA:	38.80000
LogP:	2.53170

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Specification

The Benzenethiol,2,3,5,6-tetrafluoro-, with the CAS registry number 769-40-4, is also known as 2,3,5,6-Tetrafluorophenyl hydrosulfide. Its EINECS registry number is 212-210-1. This chemical's molecular formula is C₆H₂F₄S and molecular weight is 182.1387. What's more, its systematic name is called 2,3,5,6-Tetrafluorobenzenethiol.

Physical properties about this chemical are: (1)ACD/LogP: 3.05; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 2.73; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.24; (8)ACD/KOC (pH 7.4): 1.07; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 34.4 cm³; (15)Molar Volume: 118.8 cm³; (16)Polarizability: 13.63×10^-24 cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.532 g/cm³; (19)Flash Point: 48.3 °C; (20)Enthalpy of Vaporization: 37.33 kJ/mol; (21)Boiling Point: 152.6 °C at 760 mmHg; (22)Vapour Pressure: 4.45 mmHg at 25 °C.

Uses of Benzenethiol,2,3,5,6-tetrafluoro-: it is used to produce other chemicals. For example, it is used to produce 2,3,5,6-Tetrafluorobenzenesulfenyl chloride.

Benzenethiol,2,3,5,6-tetrafluoro- is used to produce 2,3,5,6-Tetrafluorobenzenesulfenyl chloride

The reaction needs reagent Chlorine. The yield is 95 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is a flammable reagent. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. This chemical should be keep away from sources of ignition - No smoking. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(F)c(F)c(S)c1F
(2) InChI: InChI=1/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
(3) InChIKey: IGOGJHYWSOZGAE-UHFFFAOYAA