CAS 455-14-1

Chemistry, 2 End Use API, 6 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: 455-14-1, 4-aminobenzotrifluoride, 4-trifluoromethylaniline, P-aminobenzotrifluoride, P-trifluoromethylaniline, Benzenamine, 4-(trifluoromethyl)-

Molecular Formula

C₇H₆F₃N

Molecular Weight

161.12 g/mol

InChI Key

ODGIMMLDVSWADK-UHFFFAOYSA-N

FDA UNII

RQJ623MB8G

1 2D Structure

CAS 455-14-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(trifluoromethyl)aniline

2.1.2 InChI

InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2

2.1.3 InChI Key

ODGIMMLDVSWADK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(F)(F)F)N

2.2 Other Identifiers

2.2.1 UNII

RQJ623MB8G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-trifluoromethylaniline

2. Para-trifluoromethylaniline

2.3.2 Depositor-Supplied Synonyms

1. 455-14-1

2. 4-aminobenzotrifluoride

3. 4-trifluoromethylaniline

4. P-aminobenzotrifluoride

5. P-trifluoromethylaniline

6. Benzenamine, 4-(trifluoromethyl)-

7. P-(trifluoromethyl)aniline

8. 4-(trifluoromethyl)benzenamine

9. Aniline, P-(trifluoromethyl)-

10. Alpha,alpha,alpha-trifluoro-p-toluidine

11. 4-trifluoromethyl-phenylamine

12. Mfcd00064396

13. Nsc 10337

14. 1-amino-4-(trifluoromethyl)benzene

15. Rqj623mb8g

16. Leflunomide Related Compound A

17. Chebi:40750

18. Nsc-10337

19. A,a,a-trifluoro-p-toluidine

20. .alpha.,.alpha.,.alpha.-trifluoro-p-toluidine

21. [4-(trifluoromethyl)phenyl]amine

22. (4-(trifluoromethyl)phenyl)amine

23. P-amino-alpha,alpha,alpha-trifluorotoluene

24. Einecs 207-236-5

25. Unii-rqj623mb8g

26. Brn 1564853

27. Leflunomide Impurity A

28. 4-(trifluoromethyl)phenylamine

29. 4-trifluormethylaniline

30. 4-amino Benzotrifluoride

31. 4-amino-benzotrifluoride

32. 4-aminobenzotrifluororide

33. Para-aminobenzotrifluoride

34. 4-trifluoromethyl Aniline

35. 4-trifluoromethyl-aniline

36. Para-trifluoromethylaniline

37. P-toluidine, Alpha,alpha,alpha-trifluoro-

38. 4-trifluoro Methyl Aniline

39. 4-tfma

40. 4-trifluoromethylphenylamine

41. Ec 207-236-5

42. 4-(trifluoromethyl) Aniline

43. 4-(trifluoromethyl)-aniline

44. 4-trifluoromethyl Phenylamine

45. Schembl10302

46. 4-(trifluoro Methyl) Aniline

47. 4-12-00-01982 (beilstein Handbook Reference)

48. 4-trifluoromethyl Phenyl Amine

49. 4-amino-a,a,a-trifluorotoluene

50. 4-(trifluoromethyl)benzenaminium

51. Chembl1162294

52. Dtxsid5060013

53. 4-(trifluoromethyl)aniline-[d4]

54. 4-(trifluoromethyl)aniline, 99%

55. Zinc164442

56. Act00171

57. Nsc10337

58. [4- (trifluoromethyl)phenyl] Amine

59. [4-(trifluoromethyl)-phenyl]-amine

60. Ac-028

61. Pc1040

62. Stl164343

63. Akos000119383

64. .alpha.,.alpha.-trifluoro-p-anisidine

65. .alpha.,.alpha.-trifluoro-p-toluidine

66. Cs-w019629

67. Ps-8765

68. P-toluidine,.alpha.,.alpha.-trifluoro-

69. P-amino-.alpha.,.alpha.-trifluorotoluene

70. Teriflunomide Metabolite (4-tfma)

71. A0662

72. Am20060250

73. Ft-0619541

74. Leflunomide Impurity A [ep Impurity]

75. En300-20241

76. D77859

77. Leflunomide Related Compound A [usp-rs]

78. 4-aminobenzotrifluoride Hydrochloride (salt/mix)

79. 4-amino-.alpha.,.alpha.,.alpha.-benzotrifluoride

80. P-amino-.alpha.,.alpha.,.alpha.-trifluorotoluene

81. P-toluidine, .alpha.,.alpha.,.alpha.-trifluoro-

82. Q-200434

83. Leflunomide Related Compound A [usp Impurity]

84. Q27120406

85. F2190-0436

86. Leflunomide Impurity A, European Pharmacopoeia (ep) Reference Standard

87. Leflunomide Related Compound A, United States Pharmacopeia (usp) Reference Standard

88. 4-(trifluoromethyl)aniline (leflunomide Related Compound A), Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₆F₃N
Molecular Weight	161.12 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	161.04523368 g/mol
Monoisotopic Mass	161.04523368 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	124
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