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100651-98-7

Basic Information
CAS No.: 100651-98-7
Name: 2,5-BIS(DIETHOXYPHOSPHORYL)THIOPHENE
Article Data: 2
Molecular Structure:
Molecular Structure of 100651-98-7 (2,5-BIS(DIETHOXYPHOSPHORYL)THIOPHENE)
Formula: C12H22O6P2S
Molecular Weight: 356.317
Synonyms: 2, 5-Bis(diethoxyphosphoryl)thiophene;
Density: 1.23 g/cm3
Boiling Point: 435.9 °C at 760 mmHg
Flash Point: 217.4 °C
Safety: 24/25
PSA: 118.92000
LogP: 3.53090
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    2,5-BIS(DIETHOXYPHOSPHORYL)THIOPHENEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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    Phosphonic acid, 2, 5-thiophenediylbis-, tetraethyl ester (9CI)

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  • Phosphonic acid, 2, 5-thiophenediylbis-, tetraethyl ester (9CI)

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    2,5-Bis(diethoxyphosphoryl)thiophene

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Specification

The Phosphonic acid, 2, 5-thiophenediylbis-, tetraethyl ester (9CI), with the CAS registry number 100651-98-7, is also known as 2, 5-Bis(diethoxyphosphoryl)thiophene. This chemical's molecular formula is C12H22O6P2S and molecular weight is 356.31. What's more, its systematic name is Tetraethyl thiene-2, 5-diylbis(phosphonate). In addition, it must be stored in airtight containers and placed in a dry, cool place. And you should avoid contacting with skin and eyes.

Physical properties about Phosphonic acid, 2, 5-thiophenediylbis-, tetraethyl ester (9CI) are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.92; (6)ACD/BCF (pH 7.4): 7.92; (7)ACD/KOC (pH 5.5): 153.08; (8)ACD/KOC (pH 7.4): 153.08; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 118.92 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 82.37 cm3; (15)Molar Volume: 287.4 cm3; (16)Polarizability: 32.65×10-24 cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 217.4 °C; (20)Enthalpy of Vaporization: 66.56 kJ/mol; (21)Boiling Point: 435.9 °C at 760 mmHg; (22)Vapour Pressure: 2.15E-07 mmHg at 25 °C.

Preparation of Phosphonic acid, 2, 5-thiophenediylbis-, tetraethyl ester (9CI): The Phosphonic acid, 2, 5-thiophenediylbis-, tetraethyl ester (9CI) can be obtained by 2, 5-Dibromo-thiophene and Phosphorous acid triethyl ester. The reaction time is 0.5 hours with reaction temperature of 150 °C. The yield is about 48 %.
The Phosphonic acid, 2, 5-thiophenediylbis-, tetraethyl ester (9CI) can be obtained by 2, 5-Dibromo-thiophene and Phosphorous acid triethyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OCC)(OCC)c1sc(cc1)P(=O)(OCC)OCC
(2) InChI: InChI=1/C12H22O6P2S/c1-5-15-19(13,16-6-2)11-9-10-12(21-11)20(14,17-7-3)18-8-4/h9-10H,5-8H2,1-4H3
(3) InChIKey: UXDZSFJMBBHZEC-UHFFFAOYAW