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Also known as: 1660-94-2, Tetraethyl methylenebisphosphonate, Einecs 216-764-5, Brn 1813241, Phosphonic acid, p,p'-methylenebis-, p,p,p',p'-tetraethyl ester, Methylenediphosphonic acid, tetraethyl ester

Molecular Formula

C₉H₂₂O₆P₂

Molecular Weight

288.21 g/mol

InChI Key

STJWVOQLJPNAQL-UHFFFAOYSA-N

FDA UNII

WT3D5Q9EPC

1 2D Structure

Tetraethyl methylenediphosphonate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane

2.1.2 InChI

InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3

2.1.3 InChI Key

STJWVOQLJPNAQL-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

WT3D5Q9EPC

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1660-94-2

2. Tetraethyl Methylenebisphosphonate

3. Einecs 216-764-5

4. Brn 1813241

5. Phosphonic Acid, P,p'-methylenebis-, P,p,p',p'-tetraethyl Ester

6. Methylenediphosphonic Acid, Tetraethyl Ester

7. 4-01-00-03071 (beilstein Handbook Reference)

8. Phosphonic Acid, Methylenedi, Tetraethyl Ester

9. Phosphonic Acid, Methylenebis, Tetraethyl Ester

10. Phosphonic Acid, P,p'methylenebis, P,p,p',p'tetraethyl Ester

11. 216-764-5

12. Stjwvoqljpnaql-uhfffaoysa-n

13. Tetraethyl Methylenebis(phosphonate)

14. Tetraethyl Methanediphosphonate

15. Methylenebis(diethylphosphonate)

16. 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane

17. Phosphonic Acid, Methylenebis-, Tetraethyl Ester

18. Tetraethyl Diphosphonomethane

19. Methylenebis(diethoxyphosphine Oxide)

20. Methylenebisphosphonic Acid, Tetraethyl Ester

21. Methylenedi(phosphonic Acid) Tetraethyl Ester

22. Phosphonic Acid, Methylenedi-, Tetraethyl Ester

23. Nsc 133889

24. Tetraethyl Methylidenebisphosphonate

25. Mfcd00039887

26. Wt3d5q9epc

27. Tetraethyl Methanediylbis(phosphonate)

28. Bis(diethoxyphosphinyl)methane

29. Nsc-133889

30. Diethyl [(diethoxyphosphoryl)methyl]phosphonate

31. Tetraethyl (methylene)bisphosphonate

32. Methylenediphosphonic Acid Tetraethyl Ester

33. Unii-wt3d5q9epc

34. Bis-(diethylphosphono)methane

35. Bis(diethoxyphosphoryl)methane

36. Schembl282472

37. Tetraethyl Methylene-diphosphonate

38. Dtxsid60937146

39. Tetraethylmethylenebis(phosphonate)

40. Str02519

41. (eto)2p(o)ch2p(o)(oet)2

42. Bbl100008

43. Nsc133889

44. Stl510915

45. Akos003600075

46. Wln: 2opo&o2&1po&o2&o2

47. Cs-w017776

48. Tetraethyl Methylenediphosphonate, 97%

49. Methanediphosphonic Acid Tetraethyl Ester

50. Sy019507

51. Db-043642

52. Methylene Diphosphonic Acid Tetraethyl Ester

53. Ns00046873

54. Methylene Bisphosphonic Acid, Tetraethyl Ester

55. En300-207836

56. Methanediyl-bis-phosphonic Acid Tetraethyl Ester

57. 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethan

58. (diethoxy-phosphorylmethyl)-phosphonic Acid Diethyl Ester

59. (diethoxy-phosphorylmethyl)phosphonic Acid Diethyl Ester

60. Tetraethyl Methylenediphosphonate, Purum, >=97.0% (gc)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₂₂O₆P₂
Molecular Weight	288.21 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	71.1
Heavy Atom Count	17
Formal Charge	0
Complexity	245
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1