4JJ

Chemistry

Chemistry

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1 Suppliers

Also known as: 95-83-0, 4-chlorobenzene-1,2-diamine, 4-chloro-1,2-diaminobenzene, 4-chloro-1,2-phenylenediamine, 1,2-diamino-4-chlorobenzene, 1,2-benzenediamine, 4-chloro-

Molecular Formula

C₆H₇ClN₂

Molecular Weight

142.58 g/mol

InChI Key

BXIXXXYDDJVHDL-UHFFFAOYSA-N

FDA UNII

8E72QRZ33H

4-Chloro-ortho-phenylenediamine is a synthetic, beige to grey-brown crystalline powder that is slightly soluble in water, soluble in benzene and petroleum ether, and very soluble in ethanol and diethyl ether. It is used as an oxidative base, a chemical intermediate to produce 5-chlorobenzotriazole (an isomer which is a photographic chemical), a curing agent for epoxy resins and a reagent in gas chromatography. The primary routes of potential human exposure to 4-chloro-o-phenylenediamine are ingestion, inhalation, and dermal contact during its production. It is reasonably anticipated to be a human carcinogen. (NCI05)

1 2D Structure

4JJ

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chlorobenzene-1,2-diamine

2.1.2 InChI

InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2

2.1.3 InChI Key

BXIXXXYDDJVHDL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1Cl)N)N

2.2 Other Identifiers

2.2.1 UNII

8E72QRZ33H

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-chloro-1,2-diaminobenzene

2. 4-chloro-1,2-diaminobenzene Sulfate (1:1)

2.3.2 Depositor-Supplied Synonyms

1. 95-83-0

2. 4-chlorobenzene-1,2-diamine

3. 4-chloro-1,2-diaminobenzene

4. 4-chloro-1,2-phenylenediamine

5. 1,2-diamino-4-chlorobenzene

6. 1,2-benzenediamine, 4-chloro-

7. Ursol Olive 6g

8. 3,4-diaminochlorobenzene

9. 4-chloro-1,2-benzenediamine

10. 2-amino-4-chloroaniline

11. P-chloro-o-phenylenediamine

12. O-phenylenediamine, 4-chloro-

13. 3,4-diamino-1-chlorobenzene

14. 4-cl-o-pd

15. Nci-c03292

16. 4-chloro-ortho-phenylenediamine

17. Nsc 6157

18. C.i. 76015

19. Ci 76015

20. 4-chloro-2-aminoaniline

21. Mfcd00011691

22. 8e72qrz33h

23. Chebi:82301

24. 4-chloro-o-phenylenediamine, 97%

25. Nsc-6157

26. Ncgc00091663-03

27. Dsstox_cid_283

28. Dsstox_rid_75486

29. Dsstox_gsid_20283

30. Cas-95-83-0

31. Ccris 144

32. Hsdb 5087

33. Einecs 202-456-8

34. Brn 0508472

35. Unii-8e72qrz33h

36. 1-chloro-3,4-diaminobenzene

37. 4-chlorophenylenediamine

38. 5-chloro-2-aminoaniline

39. 4-chloro-phenylenediamine

40. Wln: Zr Bz Dg

41. 3,4-diamino-chlorobenzene

42. 4-chloro-o-phenylendiamine

43. 4-13-00-00068 (beilstein Handbook Reference)

44. Schembl216307

45. 4-chloro-benzene-1,2-diamine

46. 5-chloro-1,2-phenylenediamine

47. Chembl552741

48. 2-amino-5-chloroaniline

49. Dtxsid5020283

50. 4-chloro-1,2-phenylene-diamine

51. Nsc6157

52. Zinc388066

53. 2-amino-4-chlorobenzenamine

54. Act07478

55. Tox21_202984

56. Tox21_400037

57. 4-chloro-o-phenylene Diamine

58. Bbl027789

59. Stl382156

60. Akos000120363

61. 3-chloro-1,6-phenylenediamine

62. Ac-9691

63. Cs-w007387

64. Ps-4477

65. Ncgc00091663-01

66. Ncgc00091663-02

67. Ncgc00091663-04

68. Ncgc00091663-05

69. Ncgc00260529-01

70. Sy003447

71. Db-027093

72. 4-chloro-1,2-benzenediamine [hsdb]

73. Am20060760

74. Ft-0617973

75. Ft-0618045

76. 4-chloro-ortho-phenylenediamine [iarc]

77. A20508

78. C19207

79. W-100154

80. Q27155865

81. C-(2-trifluoromethyl-pyridin-4-yl)-methylamine

82. F0001-2281

83. Z1245635729

84. 1,2-benzenediamine,-chloro-;1,2-diamino-4-chlorobenzene;2-amino-4-chloroaniline;4-chloro-o-phenylenediamine

85. 4jj

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₇ClN₂
Molecular Weight	142.58 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	142.0297759 g/mol
Monoisotopic Mass	142.0297759 g/mol
Topological Polar Surface Area	52 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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4-Chloro Ortho Phenylene Diamine

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CAS Number

95-83-0

End Use API

About the Company

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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