CAS 128-09-6

Chemistry

Chemistry

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Also known as: 128-09-6, 1-chloropyrrolidine-2,5-dione, Succinchlorimide, Chlorosuccinimide, Succinochlorimide, 2,5-pyrrolidinedione, 1-chloro-

Molecular Formula

C₄H₄ClNO₂

Molecular Weight

133.53 g/mol

InChI Key

JRNVZBWKYDBUCA-UHFFFAOYSA-N

FDA UNII

0FWP306H7X

1 2D Structure

CAS 128-09-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-chloropyrrolidine-2,5-dione

2.1.2 InChI

InChI=1S/C4H4ClNO2/c5-6-3(7)1-2-4(6)8/h1-2H2

2.1.3 InChI Key

JRNVZBWKYDBUCA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(=O)N(C1=O)Cl

2.2 Other Identifiers

2.2.1 UNII

0FWP306H7X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 128-09-6

2. 1-chloropyrrolidine-2,5-dione

3. Succinchlorimide

4. Chlorosuccinimide

5. Succinochlorimide

6. 2,5-pyrrolidinedione, 1-chloro-

7. Succinic N-chloroimide

8. 1-chloro-2,5-pyrrolidinedione

9. Succinimide, N-chloro-

10. Ncs

11. Nsc 8748

12. Nsc-8748

13. 0fwp306h7x

14. Chebi:53203

15. 1-chloro-2,5-pyrrolidine-dione

16. Caswell No. 807

17. N-chloro-succinimide

18. N-chloro Succinimide

19. Hsdb 5407

20. Succinchlorimide [nf]

21. Succinic Acid, Imide, N-chloro-

22. Einecs 204-878-8

23. Epa Pesticide Chemical Code 077301

24. Brn 0113915

25. Unii-0fwp306h7x

26. Ai3-52304

27. N-chlorsuccinimide

28. N-chorosuccinimide

29. N-chlorosuccinimid

30. N-chlorosucinimide

31. N-clorosuccinimide

32. N-chlorosuccinirnide

33. N -chlorosuccinimide

34. N-chlorosuc-cinimide

35. Mfcd00005511

36. N-chlorosuccinimid E

37. N Chloro Succinimide

38. 2, 1-chloro-

39. Schembl72

40. Wln: T5vnvtj Bg

41. N-chlorosuccinic Acid Imide

42. N-chlorosuccinimide, 98%

43. Dsstox_cid_22199

44. Dsstox_rid_79955

45. Dsstox_gsid_42199

46. 5-21-09-00543 (beilstein Handbook Reference)

47. Succinchlorimide [hsdb]

48. 1-chloro-2,5 Pyrrolidinedione

49. Chembl2107513

50. Dtxsid2042199

51. N-chlorosuccinimide [mi]

52. Succinchlorimide [mart.]

53. 1-chloro-pyrrolidine-2,5-dione

54. Nsc8748

55. 1-chloro-pyrrolidine-2, 5-dione

56. Amy31063

57. Bcp27379

58. Zinc3860887

59. Tox21_301368

60. Bbl027530

61. Stl194270

62. Akos000121131

63. Ps-3219

64. Ncgc00255991-01

65. Bp-21326

66. Cas-128-09-6

67. Db-007755

68. Ft-0600487

69. D78048

70. Q286192

71. Q-201455

72. F0001-0394

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₄ClNO₂
Molecular Weight	133.53 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	132.9930561 g/mol
Monoisotopic Mass	132.9930561 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

4 Drug and Medication Information

4.1 Minimum/Potential Fatal Human Dose

3.3 = Moderately toxic: Probable oral lethal dose (human) 0.5-5 g/kg, between 1 oz and 1 pint (or 1 lb) for 70 kg person (150 lb).

Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-77

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CAS 128-09-6

CAS 128-09-6

Chemistry

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