100651-98-7

Basic information

• Product Name: 2,5-BIS(DIETHOXYPHOSPHORYL)THIOPHENE
• Synonyms: 2,5-BIS(DIETHOXYPHOSPHORYL)THIOPHENE;2,5-Bis(diethoxyphosphoryl)thiophene tech;2,5-Bis(diethoxyphosphoryl)thiophene,85%,tech.
• CAS NO: 100651-98-7
• Molecular Formula: C12H22O6P2S
• Molecular Weight: 356.31
• Mol File: 100651-98-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 172 °C
• Flash Point: 217.4 °C
• Appearance: /
• Density: 1.23 g/cm³
• Vapor Pressure: 2.15E-07mmHg at 25°C
• Refractive Index: 1.496-1.502
• CAS DataBase Reference: 2,5-BIS(DIETHOXYPHOSPHORYL)THIOPHENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-BIS(DIETHOXYPHOSPHORYL)THIOPHENE(100651-98-7)
• EPA Substance Registry System: 2,5-BIS(DIETHOXYPHOSPHORYL)THIOPHENE(100651-98-7)

Safety Data

• Safety Statements: 24/25
• Hazardous Substances Data: 100651-98-7(Hazardous Substances Data)

Usage

Chemical Properties

CLEAR YELLOW VISCOUS LIQUID

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

Upstream product

• 3141-27-3 2,5-dibromothiophen 
• 122-52-1 triethyl phosphite 

Downstream Products

• 1365808-98-5 thiophene-2-phosphonic acid 

Relevant articles and documents

Structural study of hydrated/dehydrated manganese thiophene-2,5- diphosphonate metal organic frameworks, Mn(Od3P-C4H 2S-POd3)·2H2O

Synthesis of thiophene-2,5-diphosphonic acid 2 is reported, and its use for synthesis of the original pristine materials Mn(Od3P-CHS-POd 3)·2HO 3 is reported. The structure of material 3 has been fully resolved from single-crystal X-ray diffraction. Mn(Od3P-CHS- POd3)·2HO 3 crystallizes in a monoclinic cell (space group P2) with the following parameters: a = 11.60(1) A, b = 4.943(5) A, c = 19.614(13) A, β = 107.22°. A noticeable feature of the structure of compound 3 is the orientation of the thiophene heterocycles that adopt two different orientations in two successive layers (along c). Thermal analysis of compound 3 indicates that the water molecules are easily removed from 160 to 230 °C while the dehydrated structure is stable up to 500 °C. The dehydrated compound obtained from 3 can be rehydrated to give the polymorphic compound Mn(Od3P-CHS-POd3)·2HO 4, which crystallizes in an orthorhombic cell (space group Pnam) with the following parameters: a = 7.5359(3) A, b = 7.5524(3) A, c = 18.3050(9) A. The main difference between the structures of 3 and 4 arises from both the orientation of the thiophene rings (herringbone-type organization in 4) and the structure of the inorganic layers. The thiophene-2,5-diphosphonic acid moieties engaged in materials 3 and 4 adopt a different orientation likely due to rotation around the P-C bonds and via the dehydrated state 5, which is likely more flexible than the hydrated states. Study of the magnetic properties performed on compound 3 and 4 and on the dehydrated compounds Mn(Od 3P-CHS-POd3) 5 complemented by the structural study has permitted us to characterize the antiferromagnetic ground state of sample 3, a weak ferromagnetic component in sample 4, and complete paramagnetic behavior in sample 5.