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Also known as: 333-27-7, Methyl triflate, Methyl trifluoromethanesulphonate, Methanesulfonic acid, trifluoro-, methyl ester, Methyl trifluoromethane sulfonate, Trifluoromethanesulfonic acid methyl ester
Molecular Formula
C2H3F3O3S
Molecular Weight
164.11  g/mol
InChI Key
OIRDBPQYVWXNSJ-UHFFFAOYSA-N
FDA UNII
7B25Z22EPV

CAS 333-27-7
1 2D Structure

CAS 333-27-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl trifluoromethanesulfonate
2.1.2 InChI
InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3
2.1.3 InChI Key
OIRDBPQYVWXNSJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COS(=O)(=O)C(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
7B25Z22EPV
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Methyl Triflate

2. Triflic Acid Methyl Ester

3. Trifluoromethanesulfonic Acid Methyl Ester

2.3.2 Depositor-Supplied Synonyms

1. 333-27-7

2. Methyl Triflate

3. Methyl Trifluoromethanesulphonate

4. Methanesulfonic Acid, Trifluoro-, Methyl Ester

5. Methyl Trifluoromethane Sulfonate

6. Trifluoromethanesulfonic Acid Methyl Ester

7. Meotf

8. 7b25z22epv

9. Nsc-270679

10. Trifluoro-methanesulfonic Acid Methyl Ester

11. Methanesulfonic Acid, 1,1,1-trifluoro-, Methyl Ester

12. Trifluoromethanesulfonicacidmethylester

13. Ccris 1158

14. Einecs 206-371-7

15. Methyltrifluoromethanesulfonate

16. Nsc 270679

17. Methyltriflate

18. Unii-7b25z22epv

19. Methyl Trifiate

20. Ai3-62911

21. Tfome

22. Cf3so2och3

23. Dsstox_cid_29128

24. Dsstox_rid_83347

25. 1,1,1-trifluoromethanesulfonic Acid Methyl Ester

26. Dsstox_gsid_49272

27. Schembl38490

28. Methyl Trifloromethanesulfonate

29. Methyl Trifluoromethylsulfonate

30. Methyltrifluoromethane Sulfonate

31. Methyl Trifluoromethane-sulfonate

32. Chembl3185488

33. Dtxsid6049272

34. Amy8849

35. Bcp22549

36. Cs-b0882

37. Tox21_202914

38. Fd2053

39. Mfcd00000409

40. Nsc270679

41. Zinc59699224

42. Methyl Tris(fluoranyl)methanesulfonate

43. Akos005063680

44. Gc10216

45. Trifluoro-methansulfonic Acid Methylester

46. Trifluoromethylsulfonic Acid Methyl Ester

47. Methyl Trifluoromethanesulfonate, >=98%

48. Ncgc00260460-01

49. As-18305

50. Bp-21280

51. Cas-333-27-7

52. Db-030038

53. Ft-0628818

54. Methyl Trifluoromethanesulfonate [mi]

55. T2029

56. A821727

57. Q907614

58. J-019144

59. J-522641

60. F1905-7179

61. Methyl Trifluoromethanesulfonate, For Gc Derivatization, 98.0%

62. Methyl Triflate;methyl Trifluoromethanesulfonate;methyl Trifluoromethanesulphonate;trifluoromethanesulfonic Acid Methyl Ester

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 164.11 g/mol
Molecular Formula C2H3F3O3S
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area51.8
Heavy Atom Count9
Formal Charge0
Complexity172
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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