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    CAS 86-98-6

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    CAS 86-98-6
    Also known as: 86-98-6, Quinoline, 4,7-dichloro-, 4,7-dichloro-quinoline, Amodiaquine impurity 1, Mfcd00006774, Tl 1473
    Molecular Formula
    C9H5Cl2N
    Molecular Weight
    198.05  g/mol
    InChI Key
    HXEWMTXDBOQQKO-UHFFFAOYSA-N
    FDA UNII
    Z61O2HEQ2J
    4,7-dichloroquinoline is a natural product found in Aloe castellorum with data available.
    1 2D Structure

    CAS 86-98-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,7-dichloroquinoline
    2.1.2 InChI
    InChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
    2.1.3 InChI Key
    HXEWMTXDBOQQKO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=CN=C2C=C1Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    Z61O2HEQ2J
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 86-98-6

    2. Quinoline, 4,7-dichloro-

    3. 4,7-dichloro-quinoline

    4. Amodiaquine Impurity 1

    5. Mfcd00006774

    6. Tl 1473

    7. Z61o2heq2j

    8. Nsc-593

    9. 1138471-54-1

    10. Nsc 593

    11. 4, 7-dichloroquinoline

    12. Einecs 201-714-7

    13. Unii-z61o2heq2j

    14. Brn 0125359

    15. Ai3-50374

    16. 4,7dichloroquinoline

    17. 4.7-dichloroquinoline

    18. 4,7 Dichloroquinoline

    19. Quinoline,7-dichloro-

    20. 4,7-dichloroquinolinium

    21. Dsstox_cid_31163

    22. 4,7-bis(chloranyl)quinoline

    23. Dsstox_gsid_52590

    24. 5-20-07-00316 (beilstein Handbook Reference)

    25. Bidd:gt0207

    26. Schembl317202

    27. Chloroquine Related Compound A

    28. 4,7-dichloroquinoline, 97%

    29. Chembl319828

    30. Nsc593

    31. Wln: T66 Bnj Eg Ig

    32. 4,7 Dichloro Quinoline

    33. Dtxsid0052590

    34. Dichloroquinoline, 4,7-

    35. 4,7-dichloroquinoline, >=99%

    36. Zinc119471

    37. Act10425

    38. Bcp32292

    39. Bcp32636

    40. Str01070

    41. Tox21_303863

    42. Akos000119603

    43. Am81211

    44. Cs-w020014

    45. Ps-8247

    46. Sb67463

    47. Cas-86-98-6

    48. Ncgc00357128-01

    49. Ac-10930

    50. Ac-31966

    51. Bp-12433

    52. Sy001735

    53. Db-011261

    54. D1100

    55. Ft-0617285

    56. Ft-0617286

    57. 86d986

    58. Chloroquine Related Compound A [usp-rs]

    59. D77863

    60. A841902

    61. Q-200422

    62. Chloroquine Related Compound A [usp Impurity]

    63. Q27295050

    64. F0001-2149

    65. Hydroxychloroquine Sulfate Impurity G [ep Impurity]

    66. Chloroquine Related Compound A, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 198.05 g/mol
    Molecular Formula C9H5Cl2N
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass196.9799046 g/mol
    Monoisotopic Mass196.9799046 g/mol
    Topological Polar Surface Area12.9 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity163
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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