1,4,6,9-Thianthrenetetrone supplier

Name
1,4,6,9-Thianthrenetetrone
EINECS
CAS No. 147727-02-4
Density 1.73 g/cm³
Solubility
Melting Point 230 °C (decomp)
Formula C₁₂H₄O₄S₂
Boiling Point 418.9 °C at 760 mmHg
Molecular Weight 276.293
Flash Point 190.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4,6,9-THIANTHRENETETRONE
PSA 124.76000
LogP 0.99460

1,4,6,9-Thianthrenetetrone Specification

The 1,4,6,9-Thianthrenetetrone is an organic compound with the formula C₁₂H₄O₄S₂. The systematic name of this chemical is Thianthrene-1,4,6,9-tetrone. The CAS registry number of this chemical is 147727-02-4. Besides, its molecular weight is 276.29.

Physical properties about 1,4,6,9-Thianthrenetetrone are: (1)ACD/LogP: 0.70; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): 0.7; (4)ACD/BCF (pH 5.5): 1.99; (5)ACD/BCF (pH 7.4): 1.99; (6)ACD/KOC (pH 5.5): 56.9; (7)ACD/KOC (pH 7.4): 56.9; (8)#H bond acceptors: 4; (9)Polar Surface Area: 118.88 Å²; (10)Index of Refraction: 1.776; (11)Molar Refractivity: 66.7 cm³; (12)Molar Volume: 159.4 cm³; (13)Polarizability: 26.44×10^-24 cm³; (14)Surface Tension: 84.2 dyne/cm; (15)Density: 1.73 g/cm³; (16)Flash Point: 190.6 °C; (17)Enthalpy of Vaporization: 67.25 kJ/mol; (18)Boiling Point: 418.9 °C at 760 mmHg; (19)Vapour Pressure: 3.18E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by C₂₂H₁₆O₄S₂. The reaction temperature is 220-210 °C. The yield is about 55%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H4O4S2/c13-5-1-2-6(14)10-9(5)17-11-7(15)3-4-8(16)12(11)18-10/h1-4H
(2)InChIKey: HFIWRDPIRQQHEH-UHFFFAOYAD
(3)Std. InChI: InChI=1S/C12H4O4S2/c13-5-1-2-6(14)10-9(5)17-11-7(15)3-4-8(16)12(11)18-10/h1-4H
(4)Std. InChIKey: HFIWRDPIRQQHEH-UHFFFAOYSA-N

Product Name

1,4,6,9-Thianthrenetetrone

1,4,6,9-Thianthrenetetrone Specification

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