CAS 1635-61-6

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1 Related Intermediates

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Chemistry

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Also known as: 1635-61-6, Benzenamine, 5-chloro-2-nitro-, 2-nitro-5-chloroaniline, 3-chloro-6-nitroaniline, Aniline, 5-chloro-2-nitro-, 5-chloro-2-nitrobenzenamine

Molecular Formula

C₆H₅ClN₂O₂

Molecular Weight

172.57 g/mol

InChI Key

ZCWXYZBQDNFULS-UHFFFAOYSA-N

FDA UNII

656XJM4CON

1 2D Structure

CAS 1635-61-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloro-2-nitroaniline

2.1.2 InChI

InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2

2.1.3 InChI Key

ZCWXYZBQDNFULS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

656XJM4CON

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1635-61-6

2. Benzenamine, 5-chloro-2-nitro-

3. 2-nitro-5-chloroaniline

4. 3-chloro-6-nitroaniline

5. Aniline, 5-chloro-2-nitro-

6. 5-chloro-2-nitrobenzenamine

7. 5-chloro-2-nitrobenzeneamine

8. 2-amino-4-chloro-nitrobenzene

9. 5-chloro-2-nitrophenylamine

10. 656xjm4con

11. 2-amino-4-chloro-1-nitrobenzene

12. Nsc-400866

13. 5-chlor-2-nitroanilin

14. 5-chloro-2-nitro-aniline

15. Ccris 8934

16. Einecs 216-661-5

17. Unii-656xjm4con

18. Nsc 400866

19. 5-chloro-2-nitro-phenylamine

20. Nsc400866

21. 5-chloro-2nitroaniline

22. 3-chloro-6-nitro-aniline

23. 5-chloro-2-nitro Aniline

24. 2-amino4-chloronitrobenzene

25. Schembl112538

26. 3-amino-4-nitro-chlorobenzene

27. 4-chloro-2-amino-nitrobenzene

28. Amino-4-chloro-1-nitrobenzene

29. 5-chloro-2-nitroaniline, 97%

30. Dtxsid20167604

31. 5-chloro,2-nitro-aniline

32. Act07515

33. Chloro-2-nitroaniline, 5-

34. Str03184

35. Zinc3852415

36. 2-amino-4-chloronitrobenzene

37. 3-amino-4-nitrochlorobenzene

38. Mfcd00007776

39. Stl183336

40. Akos000120351

41. Akos025395588

42. Ac-2574

43. Am61791

44. Ccg-302569

45. Cs-w009030

46. Ps-4582

47. 1-nitro-2-amino-4-chlorobenzene

48. Db-029124

49. Ft-0612061

50. Ae-562/40245919

51. W-107952

52. Q27263839

53. 5-chloro-2-nitroaniline, Technical, >=98.0% (hplc)

54. F2190-0502

55. Z1245635730

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₅ClN₂O₂
Molecular Weight	172.57 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	172.0039551 g/mol
Monoisotopic Mass	172.0039551 g/mol
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	159
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