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    CAS-128-09-6

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    2D Structure
    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

    2D Structure

    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 Weight 133.53 g/mol
    Molecular Formula C4H4ClNO2
    XLogP3-0.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass132.9930561 g/mol
    Monoisotopic Mass132.9930561 g/mol
    Topological Polar Surface Area37.4 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity129
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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