CAS 570-24-1

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Also known as: 570-24-1, 6-nitro-o-toluidine, 2-amino-3-nitrotoluene, Benzenamine, 2-methyl-6-nitro-, 6-methyl-2-nitroaniline, 2-methyl-6-nitrobenzenamine

Molecular Formula

C₇H₈N₂O₂

Molecular Weight

152.15 g/mol

InChI Key

FCMRHMPITHLLLA-UHFFFAOYSA-N

FDA UNII

OUP165YKBC

1 2D Structure

CAS 570-24-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-6-nitroaniline

2.1.2 InChI

InChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3

2.1.3 InChI Key

FCMRHMPITHLLLA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])N

2.2 Other Identifiers

2.2.1 UNII

OUP165YKBC

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 570-24-1

2. 6-nitro-o-toluidine

3. 2-amino-3-nitrotoluene

4. Benzenamine, 2-methyl-6-nitro-

5. 6-methyl-2-nitroaniline

6. 2-methyl-6-nitrobenzenamine

7. 1-amino-2-methyl-6-nitrobenzene

8. 3-nitro-2-aminotoluene

9. 2-nitro-6-methylaniline

10. Ar-methyl-ar-nitrobenzenamine

11. O-toluidine, 6-nitro-

12. Oup165ykbc

13. Nsc-286

14. Nsc-52218

15. 60999-18-0

16. Nsc 286

17. Einecs 209-329-6

18. Unii-oup165ykbc

19. 2-methyl-6-nitro-aniline

20. 2-methyl-6-nitro-benzenamine

21. Nsc286

22. 2-amino-1-methyl-3-nitrobenzene

23. Benzenamine, Ar-methyl-ar-nitro-

24. 6-nitro-o-toluidin

25. Mfcd00007744

26. Imexine Fp

27. 2-methyl-6-nitro-phenylamine

28. Schembl114004

29. (2-methyl-6-nitrophenyl)amine

30. Dtxsid7025631

31. 2-methyl-6-nitroaniline, 99%

32. Fcmrhmpithllla-uhfffaoysa-

33. 2-methyl-6-nitro Aniline

34. (2-methyl-6-nitro-phenyl)-amine

35. Methyl-6-nitroaniline, 2-

36. Nsc52218

37. Zinc3860618

38. 6-nitro-o-toluidine [inci]

39. Bbl025834

40. Geo-01883

41. Stl294817

42. Akos000118866

43. Ac-7103

44. Cs-w007456

45. Ps-3418

46. 1-nitro-2-amino-3-methylbenzene

47. Db-030870

48. Am20060178

49. Ft-0612994

50. N0467

51. 70m241

52. 2-methyl-6-nitroaniline 2-amino-3-nitrotoluene

53. Ae-641/00134021

54. W-105490

55. Q27285848

56. F1196-0221

57. Z1245633910

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₈N₂O₂
Molecular Weight	152.15 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	152.058577502 g/mol
Monoisotopic Mass	152.058577502 g/mol
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	155
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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