CAS 50824-05-0

Chemistry

Chemistry

Also known as: 50824-05-0, 1-(bromomethyl)-4-(trifluoromethoxy)benzene, 4-trifluoromethoxybenzyl bromide, Benzene, 1-(bromomethyl)-4-(trifluoromethoxy)-, 4-(bromomethyl)phenyl trifluoromethyl ether, 4-(trifluoromethoxy)benzylbromide

Molecular Formula

C₈H₆BrF₃O

Molecular Weight

255.03 g/mol

InChI Key

JDNPUJCKXLOHOW-UHFFFAOYSA-N

1 2D Structure

CAS 50824-05-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(bromomethyl)-4-(trifluoromethoxy)benzene

2.1.2 InChI

InChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2

2.1.3 InChI Key

JDNPUJCKXLOHOW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CBr)OC(F)(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 50824-05-0

2. 1-(bromomethyl)-4-(trifluoromethoxy)benzene

3. 4-trifluoromethoxybenzyl Bromide

4. Benzene, 1-(bromomethyl)-4-(trifluoromethoxy)-

5. 4-(bromomethyl)phenyl Trifluoromethyl Ether

6. 4-(trifluoromethoxy)benzylbromide

7. Alpha-bromo-4-(trifluoromethoxy)toluene

8. 4-trifluormethoxybenzylbromide

9. 4-trifluoromethoxybenzylbromide

10. Schembl104233

11. 4-trifluoromethoxy-benzylbromide

12. P-trifluoromethoxy Benzyl Bromide

13. 4-trifluoromethoxy Benzyl Bromide

14. 4-trifluoromethoxy-benzyl Bromide

15. Dtxsid00198855

16. P-(trifluoromethoxy) Benzylbromide

17. Zinc153629

18. 4-(trifluoromethoxy)-benzyl Bromide

19. Act13348

20. 4-(trifluoromethoxy)benzyl Bromide?

21. Alpha-bromo-4-trifluoromethoxytoluene

22. Bbl028087

23. Mfcd00061238

24. Stk802210

25. Bromomethyl-4-trifluoromethoxy-benzene

26. Akos005259923

27. 1-bromomethyl-4-trifluoromethoxybenzene

28. 4-bromomethyl-1-trifluoromethoxybenzene

29. Ab02407

30. Am61566

31. Cs-w004112

32. 1-bromomethyl-4-trifluoromethoxy-benzene

33. 4-(trifluoromethoxy)benzyl Bromide, 97%

34. Ac-16905

35. As-14549

36. Db-024101

37. A1727

38. Ft-0616886

39. T1781

40. 4-(trifluoromethoxy)-1-(bromomethyl)-benzene

41. En300-28932

42. A22314

43. J-513898

44. F0001-1330

45. P-tritluromethoxybenzylbromide;4-(trifluoromethoxy)benzyl

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₆BrF₃O
Molecular Weight	255.03 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	253.95541 g/mol
Monoisotopic Mass	253.95541 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	152
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

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