CAS 320-51-4

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1 End Use APIs
9 Related Intermediates

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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

CAS 320-51-4

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 Formula	C₇H₅ClF₃N
Molecular Weight	195.57 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	195.0062613 g/mol
Monoisotopic Mass	195.0062613 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	12
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