CAS 516-12-1

Chemistry, 4 End Use API, 86 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

Also known as: 516-12-1, 1-iodopyrrolidine-2,5-dione, Succiniodimide, 2,5-pyrrolidinedione, 1-iodo-, N-iodosuccinimide (nis), N-iodo succinimide

Molecular Formula

C₄H₄INO₂

Molecular Weight

224.98 g/mol

InChI Key

LQZMLBORDGWNPD-UHFFFAOYSA-N

FDA UNII

3COS3X3N4P

1 2D Structure

CAS 516-12-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-iodopyrrolidine-2,5-dione

2.1.2 InChI

InChI=1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2

2.1.3 InChI Key

LQZMLBORDGWNPD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(=O)N(C1=O)I

2.2 Other Identifiers

2.2.1 UNII

3COS3X3N4P

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 516-12-1

2. 1-iodopyrrolidine-2,5-dione

3. Succiniodimide

4. 2,5-pyrrolidinedione, 1-iodo-

5. N-iodosuccinimide (nis)

6. N-iodo Succinimide

7. Nis

8. 1-iodo-2,5-pyrrolidinedione

9. Mfcd00005512

10. 3cos3x3n4p

11. 1-iodo-pyrrolidine-2,5-dione

12. Succinimide, N-iodo-

13. Einecs 208-221-6

14. Unii-3cos3x3n4p

15. Brn 0113917

16. N-iodsuccinimide

17. N-iodosuccinimid

18. N-iodosuccinirnide

19. N-jod-succinimid

20. N-iodo-succinimide

21. N-iodosuccinic Acid Imide

22. N-iodosuccinimide, 95%

23. N-iodopyrrolidin-2,5-dione

24. Schembl18779

25. 5-21-09-00544 (beilstein Handbook Reference)

26. N-iodosuccinimide [mi]

27. Chebi:53204

28. Dtxsid10199550

29. Act02737

30. Bcp18538

31. Str02991

32. Zinc2141015

33. Ac-534

34. Stl191537

35. Akos009156901

36. Cs-w008878

37. Pb48800

38. Bp-21328

39. Sy001605

40. Db-016426

41. Am20100260

42. Ft-0632267

43. I0074

44. N-iodosuccinimide, Purum, >=97.0% (rt)

45. 16i121

46. P16496

47. A828685

48. W-202947

49. Q27124017

50. F0001-1344

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₄H₄INO₂
Molecular Weight	224.98 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	224.92868 g/mol
Monoisotopic Mass	224.92868 g/mol
Topological Polar Surface Area	37.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	129
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