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CAS 99-56-9 manufacturers and suppliers on PharmaCompass

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4NDB
Also known as: 99-56-9, 4-nitrobenzene-1,2-diamine, 4-nitro-1,2-phenylenediamine, 1,2-diamino-4-nitrobenzene, 2-amino-4-nitroaniline, 3,4-diaminonitrobenzene
Molecular Formula
C6H7N3O2
Molecular Weight
153.14  g/mol
InChI Key
RAUWPNXIALNKQM-UHFFFAOYSA-N
FDA UNII
5A9AX7Y0TT

1 2D Structure

4NDB

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-nitrobenzene-1,2-diamine
2.1.2 InChI
InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2
2.1.3 InChI Key
RAUWPNXIALNKQM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1[N+](=O)[O-])N)N
2.2 Other Identifiers
2.2.1 UNII
5A9AX7Y0TT
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1,2-diamino-4-nitrobenzene

2. 4-nitro-1,2-phenylenediamine

2.3.2 Depositor-Supplied Synonyms

1. 99-56-9

2. 4-nitrobenzene-1,2-diamine

3. 4-nitro-1,2-phenylenediamine

4. 1,2-diamino-4-nitrobenzene

5. 2-amino-4-nitroaniline

6. 3,4-diaminonitrobenzene

7. 4-nitro-1,2-benzenediamine

8. 4-nitro-1,2-diaminobenzene

9. P-nitro-o-phenylenediamine

10. 1,2-benzenediamine, 4-nitro-

11. 4-nitrophenylenediamine

12. 4-nopd

13. 4-nop

14. 4-n-o-pda

15. Nci-c03941

16. 4-no

17. 4ndb

18. 4-nitro-o-phenylene-diamine

19. O-phenylenediamine, 4-nitro-

20. Nitro-o-phenylenediamine

21. Nsc 5378

22. C.i. 76020

23. 4-nitro-1,2-fenylendiamin

24. P-nitro-o-phenylendiamine

25. 5a9ax7y0tt

26. Chebi:67116

27. Nsc-5378

28. Dsstox_cid_958

29. Dsstox_rid_75886

30. Dsstox_gsid_20958

31. Cas-99-56-9

32. 4-nitro-para-phenylenediamine

33. Ccris 451

34. Hsdb 2895

35. Einecs 202-766-3

36. 4-nitro-1,2-fenylendiamin [czech]

37. Mfcd00007724

38. Unii-5a9ax7y0tt

39. Brn 0608106

40. Ci 76020

41. Ai3-52605

42. 4-nitrobenzene-1

43. 2-amino-5-nitroaniline

44. 4-nitrophenylene Diamine

45. 3,4-diamino-nitrobenzene

46. Wln: Zr Bz Dnw

47. 4-nitro-o-phenylene Diamine

48. Schembl78293

49. 4-13-00-00075 (beilstein Handbook Reference)

50. 1,2-benzenediamine,4-nitro-

51. 4-nitro 1,2-phenylenediamine

52. 4-nitro-1,2-diamino-benzene

53. 4-nitro-ortho-phenylenediamine

54. 4-nitro-benzene-1,2-diamine

55. Chembl433721

56. 4-nitro 1,2-phenylene Diamine

57. Dtxsid9020958

58. (2-amino-5-nitro-phenyl)-amine

59. Nsc5378

60. 4-nitro-o-phenylenediamine, 98%

61. Act07448

62. Albb-021305

63. Zinc3860878

64. Tox21_202313

65. Tox21_302811

66. Bbl016368

67. Stk317795

68. Akos000119818

69. Ac-2759

70. Ccg-325544

71. Cs-w007627

72. Gs-3013

73. 4-nitro-o-phenylenediamine [mi]

74. Ncgc00091593-01

75. Ncgc00091593-02

76. Ncgc00091593-03

77. Ncgc00256320-01

78. Ncgc00259862-01

79. 4-nitro-o-phenylenediamine [inci]

80. 1,2-diamino-4-nitrobenzene [iarc]

81. Db-028981

82. 4-nitro-o-phenylenediamine [who-dd]

83. D0103

84. Ft-0614201

85. O-phenylenediamine, 4-nitro- [hsdb]

86. C19384

87. D77683

88. Q5649571

89. W-100032

90. 4-nitrobenzene-1,2-diamine;1,2-diamino-4-nitrobenzene

91. F0001-2335

92. Z1245635744

93. 58833-52-6

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 153.14 g/mol
Molecular Formula C6H7N3O2
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass153.053826475 g/mol
Monoisotopic Mass153.053826475 g/mol
Topological Polar Surface Area97.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Carcinogens

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)


Indicators and Reagents

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)


4.2 Mechanism of Action

4-Nitro-o-phenylenediamine (NOP) is a powerful direct-acting mutagen which demonstrates significant enhancement in mutagenicity when exposed to plant enzymatic systems. Evidence implicating the involvement of peroxidactic oxidation in NOP activation has been obtained from plant-cell suspension and isolated enzyme experiments. Using selected cytochrome P450 and peroxidase enzyme inhibitors in conjunction with Salmonella typhimurium strain TA98 and intact plant-cell activating systems as well as isolated horseradish peroxidase enzyme /the authors/ have further investigated NOP activation by plant systems. The activation of NOP by both plant cells and by horseradish peroxidase was suppressed by the P450 inhibitors methimazole and (+)-catechin and by the peroxidase inhibitors diethyldithiocarbamate and potassium cyanide, but was not suppressed by the P450 inhibitors metyrapone and 7,8-benzoflavone. In addition, peroxidase enzymatic activity was measured and found to be inhibited by methimazole, diethyldithiocarbamate and potassium cyanide but not by (+)-catechin. The data strongly support the involvement of exogenous peroxidase in the plant activation of NOP, but point to a complex metabolic system that requires multistep processing before full mutagenic potential of the plant-activated component of NOP is expressed.

PMID:7513796 Wilson L et al; Mutat Res 307 (1): 185-92 (1994)


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Chemox ChemoPharma Industries was started in 2006 by the eminent entrepreneur Mr. K.H.Vekariya. Today M/s Chemox ChemoPharma Industries is one of the leading manufacturer of Bulk Drug intermediates. The wide range of Chemox ChemoPharma Industrial products has been well accepted in Indian Markets by the trade/industrial professionals. Chemox ChemoPharma Industries , Located in GIDC, Ankleshwar, Dist. Bharuch has well developed facilities which Includes connecting Road, water and Electricity and others necessary for manufacturing high quality Bulk Drug intermediate. There is no hazardous industry nearby plant and hence the environment is free from hazardous fumes or gases.
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Chemox ChemoPharma Industries was started in 2006 by the eminent entrepreneur Mr. K.H.Vekariya. Today M/...
Chemox ChemoPharma Industries was started in 2006 by the eminent entrepreneur Mr. K.H.Vekariya. Today M/s Chemox ChemoPharma Industries is one of the leading manufacturer of Bulk Drug intermediates. The wide range of Chemox ChemoPharma Industrial products has been well accepted in Indian Markets by the trade/industrial professionals. Chemox ChemoPharma Industries , Located in GIDC, Ankleshwar, Dist. Bharuch has well developed facilities which Includes connecting Road, water and Electricity and others necessary for manufacturing high quality Bulk Drug intermediate. There is no hazardous industry nearby plant and hence the environment is free from hazardous fumes or gases.
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