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Technical details about CAS 127337-60-4, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 127337-60-4, 2-chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride, 2-chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine, hydrochloride, 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;hydrochloride, 2-chloromethyl-3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridine hydrochloride, 75qfd5bt69
Molecular Formula
C9H10Cl2F3NO
Molecular Weight
276.08  g/mol
InChI Key
CMZBQUWICURDCD-UHFFFAOYSA-N
FDA UNII
75QFD5BT69

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;hydrochloride
2.1.2 InChI
InChI=1S/C9H9ClF3NO.ClH/c1-6-7(4-10)14-3-2-8(6)15-5-9(11,12)13;/h2-3H,4-5H2,1H3;1H
2.1.3 InChI Key
CMZBQUWICURDCD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CN=C1CCl)OCC(F)(F)F.Cl
2.2 Other Identifiers
2.2.1 UNII
75QFD5BT69
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 127337-60-4

2. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine Hydrochloride

3. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine, Hydrochloride

4. 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;hydrochloride

5. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridine Hydrochloride

6. 75qfd5bt69

7. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridine Hcl

8. Mfcd00800224

9. 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine, Hcl

10. 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine Hcl

11. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoro-ethoxy)pyridine Hydrochloride

12. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)-pyridine Hydrochloride

13. Pyridine, 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)-, Hydrochloride (1:1)

14. Milbemycinb,12-demethyl-5-o-demethyl-28-deoxy-25-(1,3-dimethyl-1-butenyl)-6,28-epoxy-12,23-dihydroxy-,[6r,23s,25s(e)]-(9ci)

15. Lansoprazole Intermediates

16. Ec 603-200-1

17. 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine Hydrochloride (1:1)

18. Unii-75qfd5bt69

19. Amy438

20. Schembl1681187

21. Dtxsid40584470

22. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine Hcl

23. Bcp12353

24. Akos015845926

25. Cs-w002690

26. Sb32604

27. Ac-15532

28. As-11876

29. Sy014456

30. Db-020939

31. Ft-0643064

32. 337c604

33. A805683

34. J-509029

35. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoro-ethoxy) -pyridine Hydrochloride

36. 3-methyl-4-(2,2,2,-trifluoroethoxy)-2-chloromethylpyridine Hydrochloride

37. 3-methyl-4-(2,2,2-trifluoroethoxy)-2-chloromethylpyridine Hydrochloride

38. 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine Hydrochloride, 97%

39. 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine--hydrogen Chloride (1/1)

40. 2-(chloromethyl)-4-(2,2,2-trifluoroethoxy)pyridine Hydrochloride;2-chloromethyl-3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridine Hcl

2.4 Create Date
2007-07-16
3 Chemical and Physical Properties
Molecular Weight 276.08 g/mol
Molecular Formula C9H10Cl2F3NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass275.0091538 g/mol
Monoisotopic Mass275.0091538 g/mol
Topological Polar Surface Area22.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2