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Also known as: 1575-37-7, 4-bromo-1,2-benzenediamine, 4-bromo-1,2-diaminobenzene, 1,2-diamino-4-bromobenzene, 2-amino-4-bromoaniline, 4-bromo-o-phenylenediamine
Molecular Formula
C6H7BrN2
Molecular Weight
187.04  g/mol
InChI Key
WIHHVKUARKTSBU-UHFFFAOYSA-N
FDA UNII
UKC7FT8YHS

CAS 1575-37-7
1 2D Structure

CAS 1575-37-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromobenzene-1,2-diamine
2.1.2 InChI
InChI=1S/C6H7BrN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
2.1.3 InChI Key
WIHHVKUARKTSBU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1Br)N)N
2.2 Other Identifiers
2.2.1 UNII
UKC7FT8YHS
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1575-37-7

2. 4-bromo-1,2-benzenediamine

3. 4-bromo-1,2-diaminobenzene

4. 1,2-diamino-4-bromobenzene

5. 2-amino-4-bromoaniline

6. 4-bromo-o-phenylenediamine

7. 4-bromo-1,2-phenylenediamine

8. 1,2-benzenediamine, 4-bromo-

9. 4-bromo-2-aminoaniline

10. 2-amino-4-bromophenylamine

11. Ukc7ft8yhs

12. Mfcd02660622

13. 4-bromo-benzene-1,2-diamine

14. Nsc-285110

15. 3,4-diaminobromobenzene

16. Nsc285110

17. 4-bromophenylenediamine

18. Unii-ukc7ft8yhs

19. 4-bromo-phenylene Diamine

20. 4-bromo-phenylene-diamine

21. P-bromo-o-phenylenediamine

22. Ec 629-615-8

23. 4-bromobenzene1,2-diamine

24. 4-bromo-o-phenylene Diamine

25. 1-bromo-3,4-diaminobenzene

26. 4-bromo-1,2,diaminobenzene

27. 4-bromo1,2-diamino Benzene

28. Schembl13663

29. 1,2-diamino-4-bromo Benzene

30. 4-bromo 1,2-diamino Benzene

31. 4-bromo-1,2-diamino Benzene

32. 4-bromobenzene-1,2- Diamine

33. 4 -bromobenzene-1,2-diamine

34. Dtxsid80314531

35. Zinc158488

36. Act03072

37. Albb-006246

38. Bcp08763

39. Str08518

40. 4-bromo-1,2-diaminobenzene, 97%

41. Bbl104411

42. Stk503784

43. Akos005145534

44. Ab11949

45. Ac-7570

46. Am61789

47. Ccg-302578

48. Cs-w008701

49. Nsc 285110

50. Ps-4239

51. Bp-13077

52. Sy002835

53. Db-028725

54. A3462

55. B3181

56. Bb 0241823

57. Ft-0617697

58. En300-45066

59. Aq-358/42003067

60. J-009422

61. J-514803

62. Z385438802

63. 4-bromo-o-phenyle Pound>>1,2-diamino-4-bromobenzene Pound>>4-bromo-1,2-phenylenediamine

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 187.04 g/mol
Molecular Formula C6H7BrN2
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area52
Heavy Atom Count9
Formal Charge0
Complexity97.1
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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