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13634-89-4

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Basic Information
CAS No.: 13634-89-4
Name: 4-Methyl-2,3,5,6-tetrafluorothiophenol
Molecular Structure:
Molecular Structure of 13634-89-4 (4-Methyl-2,3,5,6-tetrafluorothiophenol)
Formula: C7H4F4S
Molecular Weight: 196.168
Synonyms: 2,3,5,6-Tetrafluoro-4-methylbenzenethiol;
Density: 1.451 g/cm3
Boiling Point: 182.3 °C at 760 mmHg
Flash Point: 66.5 °C
Appearance: clear colorless liquid
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 38.80000
LogP: 2.84010
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    13634-89-4

    Benzenethiol,2,3,5,6-tetrafluoro-4-methyl-

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  • 13634-89-4 4-Methyl-2,3,5,6-tetrafluorothiophenol

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    13634-89-4 4-Methyl-2,3,5,6-tetrafluorothiophenol

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  • Benzenethiol,2,3,5,6-tetrafluoro-4-methyl-

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    Benzenethiol,2,3,5,6-tetrafluoro-4-methyl-

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Specification

The CAS registry number of Benzenethiol,2,3,5,6-tetrafluoro-4-methyl- is 13634-89-4. This chemical's molecular formula is C7H4F4S and molecular weight is 196.1653. What's more, its systematic name is called 2,3,5,6-Tetrafluoro-4-methylbenzenethiol.

Physical properties about Benzenethiol,2,3,5,6-tetrafluoro-4-methyl- are: (1)ACD/LogP: 3.51; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 0.57; (5)ACD/BCF (pH 5.5): 9.44; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 66.68; (8)ACD/KOC (pH 7.4): 2.22; (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: 1.492; (14)Molar Refractivity: 39.22 cm3; (15)Molar Volume: 135.1 cm3; (16)Polarizability: 15.55×10-24 cm3; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 1.451 g/cm3; (19)Flash Point: 66.5 °C; (20)Enthalpy of Vaporization: 40.14 kJ/mol; (21)Boiling Point: 182.3 °C at 760 mmHg; (22)Vapour Pressure: 1.11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(c(F)c(F)c(S)c1F)C
(2) InChI: InChI=1/C7H4F4S/c1-2-3(8)5(10)7(12)6(11)4(2)9/h12H,1H3
(3) InChIKey: IXNACCOMSPFJNH-UHFFFAOYAE