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2,3,5,6-Tetrafluorothiophenol

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Name

2,3,5,6-Tetrafluorothiophenol

EINECS 212-210-1
CAS No. 769-40-4 Density 1.532 g/cm3
PSA 38.80000 LogP 2.53170
Solubility N/A Melting Point N/A
Formula C6H2F4S Boiling Point 152.6 °C at 760 mmHg
Molecular Weight 182.141 Flash Point 48.3 °C
Transport Information N/A Appearance clear colorless to pale yellow liquid
Safety 16-26-36/37/39 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 769-40-4 (2,3,5,6-TETRAFLUOROTHIOPHENOL) Hazard Symbols IrritantXi
Synonyms

2,3,5,6-Tetrafluorophenyl hydrosulfide;

Article Data 11

2,3,5,6-Tetrafluorothiophenol 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

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