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Technical details about CAS 320-51-4, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 320-51-4, 5-amino-2-chlorobenzotrifluoride, 3-(trifluoromethyl)-4-chloroaniline, 2-chloro-5-aminobenzotrifluoride, 4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine, Benzenamine, 4-chloro-3-(trifluoromethyl)-
Molecular Formula
C7H5ClF3N
Molecular Weight
195.57  g/mol
InChI Key
ASPDJZINBYYZRU-UHFFFAOYSA-N
FDA UNII
000N5814MR

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-3-(trifluoromethyl)aniline
2.1.2 InChI
InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
2.1.3 InChI Key
ASPDJZINBYYZRU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1N)C(F)(F)F)Cl
2.2 Other Identifiers
2.2.1 UNII
000N5814MR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 320-51-4

2. 5-amino-2-chlorobenzotrifluoride

3. 3-(trifluoromethyl)-4-chloroaniline

4. 2-chloro-5-aminobenzotrifluoride

5. 4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine

6. Benzenamine, 4-chloro-3-(trifluoromethyl)-

7. 2-chloro-5-aminebenzotrifluoride

8. Acbt

9. 4-chloro-3-trifluoromethylaniline

10. 4-chloro-3-(trifluoromethyl)benzenamine

11. 6-chloro-3-aminobenzotrifluoride

12. Aniline, 4-chloro-3-(trifluoromethyl)-

13. Mfcd00007846

14. 4-chloro-3-trifluoromethyl-phenylamine

15. 4-chloro-3-(trifluoromethyl) Aniline

16. Chebi:59245

17. Nsc-61405

18. 000n5814mr

19. M-toluidine, 4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-

20. Ccris 2815

21. Einecs 206-277-6

22. Nsc 61405

23. 4-amino-1-chloro-2-(trifluoromethyl)benzene

24. Unii-000n5814mr

25. Nsc61405

26. M-toluidine, 4-chloro-alpha,alpha,alpha-trifluoro-

27. 3-amino-6-chlorobenzotrifluoride

28. Hydromorphone 3-sulfate

29. Epitope Id:131789

30. Schembl203216

31. Dtxsid7059804

32. 3-triflouromethyl-4-chloroanilin

33. Aspdjzinbyyzru-uhfffaoysa-

34. 4-chloro-5-trifluoromethylaniline

35. 3-trifluoromethyl-4-chloroaniline

36. 5-amino-2-chloro-benzotrifluoride

37. 5-amino-2-chlorobenzo Trifluoride

38. Hms1648n05

39. Zinc154725

40. 3-trifluoromethyl-4-chloro Aniline

41. 3-trifluoromethyl-4-chloro-aniline

42. 4-chloro-3-trifluoromethyl Aniline

43. 4-chloro-3-trifluoromethyl-aniline

44. Bcp09443

45. P-chloro-m-(trifluoromethyl)aniline

46. 4-chloro-3 (trifluoromethyl)aniline

47. 4-chloro-3-trifluoro Methyl Aniline

48. 4-chloro-3-trifluoromethylbenzenamine

49. Bbl018123

50. Pc1070

51. Stk902087

52. 4-chloro-3-(trifluoromethyl)-aniline

53. 4-chloro-3-trifluoromethylphenylamine

54. Akos000120459

55. Cs-w019997

56. Ps-8279

57. 4-chloro-3-(trifluoromethyl)benzeneamine

58. Ac-25037

59. Benzenamine, 4-chloro-3-trifluoromethyl-

60. 4-chloro-3-(trifluoromethyl)benzene Amine

61. 4-chloro-3-(trifluoromethyl)aniline, 99%

62. A5768

63. Am20060297

64. Bb 0218491

65. Ft-0601470

66. Ft-0652265

67. (4-chloro-3-trifluoromethylphenyl)amine

68. W-106863

69. Q27126565

70. F2108-0227

71. Z1245635739

72. 4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-toluidine

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 195.57 g/mol
Molecular Formula C7H5ClF3N
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass195.0062613 g/mol
Monoisotopic Mass195.0062613 g/mol
Topological Polar Surface Area26 Ų
Heavy Atom Count12
Formal Charge0
Complexity159
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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