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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

CAS 86-98-6
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

BUILDING BLOCK

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