4545-93-1

Basic information

• Product Name: 3,3,4,4,5,5,6,6-Octafluor-cyclohex-1-en-1,2-diphosphonsaeure-1,2-tetraaethylester
• CAS NO: 4545-93-1
• Molecular Weight: 498.244
• Mol File: 4545-93-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3,3,4,4,5,5,6,6-Octafluor-cyclohex-1-en-1,2-diphosphonsaeure-1,2-tetraaethylester(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3,4,4,5,5,6,6-Octafluor-cyclohex-1-en-1,2-diphosphonsaeure-1,2-tetraaethylester(4545-93-1)
• EPA Substance Registry System: 3,3,4,4,5,5,6,6-Octafluor-cyclohex-1-en-1,2-diphosphonsaeure-1,2-tetraaethylester(4545-93-1)

Safety Data

• Hazardous Substances Data: 4545-93-1(Hazardous Substances Data)

Upstream product

• 336-19-6 1,2-dichloro-3,3,4,4,5,5,6,6-octafluoro-cyclohexene 
• 122-52-1 triethyl phosphite 

Downstream Products

• 36206-23-2 (3,3,4,4,5,5,6,6-Octafluoro-2-phosphono-cyclohex-1-enyl)-phosphonic acid 

Relevant articles and documents

Synthesis of trans-1,2-difluoroethenediylbis(phosphonic acid) and other unsaturated phosphonic acids

The phosphonic acids (HO)2P(O)CF=CFP(O)(OH)2, CF2=CFCH2CH2P(O)(OH)2, and (HO)2P(O)C=CP-(O)(OH)2(CF2)nCF 2 (n = 1, 3) have been synthesized for the first time. trans-1,2-Difluoroethenediylbis(phosphonic acid) was prepared from (C2H5O)2P(O)CFBrCFBrP(O)(OC2H 5)2, which had been obtained via coupling of the corresponding sulfinate salt, (C2H5O)2P(O)CFBrSO2Na, by adding 30% aqueous hydrogen peroxide to a solution Of(C2H5O)2P(O)CFBrSO2Na and iron(II) sulfate. The X-ray crystal structure of the salt [Zn(H2O)6]2+[O(HO)P(O)CF=CFP(O)(OH)O] 2- indicates a network of [Zn(H2O)6]2+ dications and the acid dianions linked together with water molecules via hydrogen bonding. The phosphorus, fluorine, and carbon atoms are coplanar.