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Overview of CAS 95-83-0

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4JJ
PharmaCompass
  • Chemistry
4JJ
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
142.586  g/mol
InChI Key
BXIXXXYDDJVHDL-UHFFFAOYSA-N
FDA UNII
8E72QRZ33H

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 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. 4-cl-o-pd

14. Nci-c03292

15. 3,4-diamino-1-chlorobenzene

16. 4-chloro-ortho-phenylenediamine

17. Nsc 6157

18. C.i. 76015

19. Ccris 144

20. Hsdb 5087

21. Einecs 202-456-8

22. Brn 0508472

23. Ci 76015

24. 1-chloro-3,4-diaminobenzene

25. Chebi:82301

26. Bxixxxyddjvhdl-uhfffaoysa-n

27. Ncgc00091663-03

28. Dsstox_cid_283

29. Dsstox_rid_75486

30. Dsstox_gsid_20283

31. Mfcd00011691

32. Cas-95-83-0

33. Unii-8e72qrz33h

34. Pubchem4350

35. 5-chloro-2-aminoaniline

36. 4-chloro-phenylenediamine

37. Ac1l1odj

38. 4-chloro-2-aminoaniline

39. Wln: Zr Bz Dg

40. 3,4-diamino-chlorobenzene

41. 4-chloro-o-phenylendiamine

42. Acmc-209s5f

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

44. Ksc486q4r

45. Schembl216307

46. P-chloro-1,2-phenylenediamine

47. 4-chloro-orto-phenylenediamine

48. 4-chloro-benzene-1,2-diamine

49. 8e72qrz33h

50. Ac1q513g

51. Chembl552741

52. Dtxsid5020283

53. P-ch Loro-1,2-phenylenediamine

54. 4-chloro-1,2-phenylene-diamine

55. Ctk3i6848

56. Timtec-bb Sbb008908

57. Nsc6157

58. Attercop-chm At112917

59. Molport-001-767-496

60. Bb_sc-6498

61. Zinc388066

62. 4-chloro-o-phenylenediamine, 97%

63. Act07478

64. Nsc-6157

65. Tox21_202984

66. Tox21_400037

67. 4-chloro-o-phenylene Diamine

68. Anw-40753

69. Bbl027789

70. Rw3976

71. Sbb008908

72. Stl382156

73. Akos000120363

74. Ac-9691

75. As01542

76. Cm12157

77. Cs-w007387

78. Ls-1992

79. Mcule-6271163512

80. Ps-4477

81. Rtc-060752

82. Ks-00000o88

83. Ncgc00091663-01

84. Ncgc00091663-02

85. Ncgc00091663-04

86. Ncgc00091663-05

87. Ncgc00260529-01

88. 68459-98-3 (sulfate[1:1])

89. Aj-20412

90. Ak-46505

91. An-42765

92. Bc222890

93. Br-46505

94. Cj-03097

95. Kb-37578

96. Or000961

97. Sc-07444

98. Zb011261

99. Ab1002357

100. Db-027093

101. St2411354

102. Tc-060752

103. Tl8005999

104. Am20060760

105. Ft-0617973

106. Ft-0618045

107. St50823840

108. C19207

109. M-7128

110. I01-5017

111. W-100154

112. 4-chloro-1,2-diaminobenzene; 3,4-diaminochlorobenzene

113. F0001-2281

114. Z1245635729

115. Inchi=1/c6h7cln2/c7-4-1-2-5(8)6(9)3-4/h1-3h,8-9h

116. 4jj

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 142.586 g/mol
Molecular Formula C6H7ClN2
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass142.03 g/mol
Monoisotopic Mass142.03 g/mol
Topological Polar Surface Area52 A^2
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
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