CAS 333-27-7

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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

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 Formula	C₂H₃F₃O₃S
Molecular Weight	164.11 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	51.8
Heavy Atom Count	9
Formal Charge	0
Complexity	172
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