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CAS 174501-65-6
PharmaCompass
  • Chemistry
CAS 174501-65-6
Also known as: 174501-65-6, 1-butyl-3-methylimidazolium tetrafluoroborate, 1-n-butyl-3-methylimidazolium tetrafluoroborate, 3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate, Unii-t2tvz2306t, Bmimbf4
Molecular Formula
C8H15BF4N2
Molecular Weight
226.026  g/mol
InChI Key
LSBXQLQATZTAPE-UHFFFAOYSA-N
FDA UNII
T2TVZ2306T

1 2D Structure

CAS 174501-65-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-butyl-3-methylimidazol-3-ium;tetrafluoroborate
2.1.2 InChI
InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1
2.1.3 InChI Key
LSBXQLQATZTAPE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
[B-](F)(F)(F)F.CCCCN1C=C[N+](=C1)C
2.2 Other Identifiers
2.2.1 UNII
T2TVZ2306T
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 174501-65-6

2. 1-butyl-3-methylimidazolium Tetrafluoroborate

3. 1-n-butyl-3-methylimidazolium Tetrafluoroborate

4. 3-butyl-1-methyl-1h-imidazol-3-ium Tetrafluoroborate

5. Unii-t2tvz2306t

6. Bmimbf4

7. 1-butyl-3-methylimidazolium Terafluoroborate

8. 1-methyl-3-butylimidazolium Tetrafluoroborate

9. Ak-98698

10. C4mim Tetrafluoroborate

11. 1-butyl-3-methyl-1h-imidazol-3-ium Tetrafluoroborate

12. Mfcd03095449

13. Bmim Tetrafluoroborate

14. Basionics® Ee 04

15. 3-butyl-1-methylimidazolium Tetrafluoroborate

16. Butylmethylimidazolium Tetrafluoroborate [mi]

17. Acmc-209e8d

18. Ac1mc0j5

19. Dsstox_cid_29087

20. Dsstox_rid_83306

21. Dsstox_gsid_49231

22. Schembl34458

23. 1- N -butyl-3-methylimidazolium Tetrafluoroborate

24. 1-butyl-3-methylimidazolium Tetrafluoroborate(1-)

25. Ksc174i1t

26. C8h15bf4n2

27. Schembl1536894

28. T2tvz2306t

29. Jsp003572

30. Bmimbf4; Basionics? Ee 04

31. Chembl3186788

32. Dtxsid5049231

33. Ctk0h4419

34. Lsbxqlqatztape-uhfffaoysa-n

35. Molport-003-931-804

36. Molport-019-904-017

37. Tox21_202621

38. 1h-imidazolium, 3-butyl-1-methyl-, Tetrafluoroborate(1-) (1:1)

39. Anw-22715

40. Akos007930082

41. Akos016004437

42. Rl02236

43. Rtc-040215

44. Tra0043601

45. Ncgc00260169-01

46. As-17856

47. Sc-43821

48. 1-butyl-3-methylimidazoliumtetrafluoroborate

49. Ab0021042

50. Ab0060159

51. Ab1008386

52. Kb-152515

53. St2411252

54. Tc-040215

55. 1-butyl-3-methylimidazolium Tetrafluorborate

56. Cas-174501-65-6

57. Ft-0608142

58. V2196

59. 1-butyl-3-methyl-imidazolium Tetrafluoroborate

60. 1-butyl-3-methylimidazol-3-ium Tetrafluoroborate

61. 1-butyl-3-methyl-3h-imidazol-1-ium Tetrafluoroborate

62. 1-butyl-3-methylimidazolium Tetrafluoroborate, >=98%

63. I14-14316

64. F0001-0635

65. 1-butyl-3-methylimidazolium Tetrafluoroborate, >=97.0% (hplc)

66. 1-butyl-3-methylimidazolium Tetrafluoroborate, For Catalysis, >=98.5% (hplc)

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 226.026 g/mol
Molecular Formula C8H15BF4N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass226.126 g/mol
Monoisotopic Mass226.126 g/mol
Topological Polar Surface Area8.8 A^2
Heavy Atom Count15
Formal Charge0
Complexity112
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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