CAS 86404-63-9

Chemistry, 4 End Use API, 23 Related Intermediates

Manufacturers/Suppliers

5 Suppliers

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2 Intermediates

2 Intermediates

Also known as: 86404-63-9, 2,4-difluoro-alpha-(1h-1,2,4-triazolyl)acetophenone, 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone, 2',4'-difluoro-2-(1h-1,2,4-triazol-1-yl)acetophenone, Ethanone, 1-(2,4-difluorophenyl)-2-(1h-1,2,4-triazol-1-yl)-, 2-(1h-1,2,4-triazol-1-yl)-2',4'-difluoroacetophenone

Molecular Formula

C₁₀H₇F₂N₃O

Molecular Weight

223.18 g/mol

InChI Key

XCHRPVARHBCFMJ-UHFFFAOYSA-N

FDA UNII

HXI8R9R915

1 2D Structure

CAS 86404-63-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

2.1.2 InChI

InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2

2.1.3 InChI Key

XCHRPVARHBCFMJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1F)F)C(=O)CN2C=NC=N2

2.2 Other Identifiers

2.2.1 UNII

HXI8R9R915

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 86404-63-9

2. 2,4-difluoro-alpha-(1h-1,2,4-triazolyl)acetophenone

3. 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

4. 2',4'-difluoro-2-(1h-1,2,4-triazol-1-yl)acetophenone

5. Ethanone, 1-(2,4-difluorophenyl)-2-(1h-1,2,4-triazol-1-yl)-

6. 2-(1h-1,2,4-triazol-1-yl)-2',4'-difluoroacetophenone

7. Uk 51060

8. Hxi8r9r915

9. Voriconazole Related Compound C

10. Mfcd02093825

11. 1-(2,4-difluorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethan-1-one

12. Fluconazole Related Compound (2,4-difluoro-alpha-(1h-1,2,4-triazolyl)acetophenone)

13. Unii-hxi8r9r915

14. Ec 617-850-9

15. 1-(2,4-difluorophenacyl)-1h-1,2,4-triazole

16. Schembl76005

17. Mls000681496

18. 1-(2,4-difluorobenzoylmethyl)-1h-1,2,4-triazole

19. 2,4-difluoro-

20. A-(1h-1,2,4-triazolyl)acetophenone

21. F2158-0485

22. Chembl2063495

23. Dtxsid70235529

24. Hms2555a08

25. Bcp08801

26. Zinc4008794

27. Am1204

28. Akos005208156

29. Ac-5336

30. Cs-w013099

31. Ds-10468

32. Smr000269159

33. Sy013731

34. Uk-51060

35. Fluconazole Impurity E [ep Impurity]

36. Ft-0642042

37. T2722

38. Voriconazole Impurity A [ep Impurity]

39. A19245

40. O10251

41. Voriconazole Related Compound C [usp-rs]

42. 867d756

43. Sr-01000492477

44. 2,4-difluoro-?-(1h-1,2,4-triazolyl)acetophenone

45. Q-200187

46. Sr-01000492477-1

47. Q27280148

48. Voriconazole Related Compound C [usp Impurity]

49. 2,4-difluoro- Alpha -(1h-1,2,4-triazolyl)acetophenone

50. 2,4-difluoro-2-(1h-1,2,4-triazol-1-yl)acetophenone

51. 2,4-difluorophenyl-2-(1h-1,2,4-triazol-1-yl)ethanone

52. 1-(2,4-difluorophenyl)-2-(1h-1,2,4-triazol-1-yl) Ethanone

53. 2',4'-difluoro-2-(1,2,4-triazol-1-yl)acetophenone

54. 2',4'-difluoro-alpha-(1h-1,2,4-triazol-1-yl)acetophenone

55. 2,4-difluoro-alpha-(1h-1,2,4-triazolyl)acetophenone, 95%

56. 2-(1h-1,2,4-triazol-1-yl)-2\',4\'-difluoroacetophenone

57. 1-(2,4-difluoro Phenyl)-2-(1h-1,2,4-triazole-1-yl)ethanone

58. 1-(2,4-difluoro-phenyl)-2-[1,2,4]triazol-1-yl-ethanone

59. 1-(2,4-difluorophenyl)-2-(1h-1,2,4-triazol-1-yl)-1-ethanone

60. 2,4-difluoro-.alpha.-(1h-1,2,4-triazolyl)acetophenone

61. Voriconazole Related Compound C, United States Pharmacopeia (usp) Reference Standard

62. 1-(2,4-difluorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone;2,4-difluoro-2(1h-1,2,4-triazol-1-yl)acetophenone

63. 2 Inverted Exclamation Mark ,4 Inverted Exclamation Mark -difluoro-2-(1h-1,2,4-triazol-1-yl)acetophenone

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₇F₂N₃O
Molecular Weight	223.18 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	223.05571818 g/mol
Monoisotopic Mass	223.05571818 g/mol
Topological Polar Surface Area	47.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	264
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