CAS 174501-65-6

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Also known as: 174501-65-6, 3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate, Bmimbf4, 1-n-butyl-3-methylimidazolium tetrafluoroborate, Bmim tetrafluoroborate, Butylmethylimidazolium tetrafluoroborate

Molecular Formula

C₈H₁₅BF₄N₂

Molecular Weight

226.03 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 MeSH Synonyms

1. B-mi-tfb

2. Bmim-bf4

2.3.2 Depositor-Supplied Synonyms

1. 174501-65-6

2. 3-butyl-1-methyl-1h-imidazol-3-ium Tetrafluoroborate

3. Bmimbf4

4. 1-n-butyl-3-methylimidazolium Tetrafluoroborate

5. Bmim Tetrafluoroborate

6. Butylmethylimidazolium Tetrafluoroborate

7. 1-methyl-3-butylimidazolium Tetrafluoroborate

8. Unii-t2tvz2306t

9. 3-butyl-1-methylimidazolium Tetrafluoroborate

10. T2tvz2306t

11. 1-butyl-3-methylimidazolium Terafluoroborate

12. Butylmethylimidazolium Tetrafluoroborate [mi]

13. 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate

14. 1-butyl-3-methylimidazolium Tetrafluoroborate(1-)

15. 1h-imidazolium, 3-butyl-1-methyl-, Tetrafluoroborate(1-) (1:1)

16. Mfcd03095449

17. [bmim]bf4

18. Dsstox_cid_29087

19. Dsstox_rid_83306

20. Dsstox_gsid_49231

21. Schembl34458

22. 1- N -butyl-3-methylimidazolium Tetrafluoroborate

23. Schembl1536894

24. Chembl3186788

25. Dtxsid5049231

26. Amy18677

27. Tox21_202621

28. Akos007930082

29. Akos016004437

30. Nsc 746785

31. Nsc-746785

32. Ncgc00260169-01

33. Ac-30202

34. As-17856

35. 1-butyl-3-methylimidazolium Tetrafluorborate

36. 1-butyl-3-methylimidazolium Tetrafluoroborat

37. Cas-174501-65-6

38. Ft-0608142

39. 3-butyl-1-methyl-1h-imidazol-3-iumtetrafluoroborate

40. Q6143623

41. 1-butyl-3-methyl-1h-imidazol-3-ium Tetrafluoroborate

42. 1-butyl-3-methyl-3h-imidazol-1-ium Tetrafluoroborate

43. 1-butyl-3-methylimidazolium Tetrafluoroborate, >=98%

44. 1-butyl-3-methylimidazolium Tetrafluoroborate, Puriss

45. 1-butyl-3-methylimidazolium Tetrafluoroborate, For Hplc

46. F0001-0635

47. 1-butyl-3-methylimidazolium Tetrafluoroborate, For Catalysis

48. 1-butyl-3-methylimidazolium Tetrafluoroborate [bmim] [bf4]

49. 1-butyl-3-methylimidazolium Tetrafluoroborate, >=97.0% (hplc)

50. 1-butyl-3-methylimidazolium Tetrafluoroborate, For Catalysis, >=98.5% (hplc)

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₅BF₄N₂
Molecular Weight	226.03 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	226.1264413 g/mol
Monoisotopic Mass	226.1264413 g/mol
Topological Polar Surface Area	8.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	112
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	2

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