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Chemistry

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Also known as: 402-49-3, 4-(trifluoromethyl)benzyl bromide, 4-trifluoromethylbenzyl bromide, 4-(bromomethyl)benzotrifluoride, P-trifluoromethylbenzyl bromide, Benzene, 1-(bromomethyl)-4-(trifluoromethyl)-
Molecular Formula
C8H6BrF3
Molecular Weight
239.03  g/mol
InChI Key
IKSNDOVDVVPSMA-UHFFFAOYSA-N

P-Trifluoromethylbenzyl Bromide
1 2D Structure

P-Trifluoromethylbenzyl Bromide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(bromomethyl)-4-(trifluoromethyl)benzene
2.1.2 InChI
InChI=1S/C8H6BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
2.1.3 InChI Key
IKSNDOVDVVPSMA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1CBr)C(F)(F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 402-49-3

2. 4-(trifluoromethyl)benzyl Bromide

3. 4-trifluoromethylbenzyl Bromide

4. 4-(bromomethyl)benzotrifluoride

5. P-trifluoromethylbenzyl Bromide

6. Benzene, 1-(bromomethyl)-4-(trifluoromethyl)-

7. 4-(trifluoromethyl)benzylbromide

8. 4-trifluoromethylbenzylbromide

9. Alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene

10. 4-trifluoromethyl Benzyl Bromide

11. 4-(trifluoromethyl) Benzyl Bromide

12. 4-(trifluoromethyl)-benzyl Bromide

13. P-(trifluoromethyl)benzyl Bromide

14. Einecs 206-947-8

15. Mfcd00000403

16. Schembl4229

17. 4-trifluoromethybenzyl Bromide

18. 4-trifluoromethyl Benzylbromide

19. 4-trifluoromethyl-benzylbromide

20. 4-trifluoromethylbenzyl-bromide

21. 4-(trifloromethyl)benzylbromide

22. 4-trifluromethyl Benzyl Bromide

23. Ambz0148

24. P-trifluoromethyl-benzyl Bromide

25. 4-trifluoromethyl-benzyl Bromide

26. 4-(trifluoromethyl)-benzylbromide

27. Dtxsid30193196

28. 4-(trifluoromethyl) Benzylbromide

29. Act13349

30. Zinc2242589

31. 4-trifluoromethylphenylmethyl Bromide

32. A'-bromo-a,a,a-trifluoro-p-xylene

33. Bbl027295

34. Bromomethyl-4-trifluoromethyl-benzene

35. Stl377330

36. 1-bromomethyl-4-trifluoromethylbenzene

37. Akos001171475

38. Ac-9767

39. Am62176

40. Cs-w018337

41. Gs-3501

42. 1-bromomethyl-4-trifluoromethyl-benzene

43. 4-(trifluoromethyl)benzyl Bromide, 98%

44. [4-(trifluoromethyl)-phenyl]methyl Bromide

45. Db-024000

46. A6732

47. Ft-0616922

48. T1313

49. 1-(bromomethyl)-4-(trifluoromethyl)benzene #

50. En300-15248

51. Alpha-bromo-alpha',alpha',alpha'-trifluoro-p-xylene

52. W-106371

53. F2190-0266

54. .alpha.'-bromo-.alpha.,.alpha.,.alpha.-trifluoro-p-xylene

55. 4-(trifluoromethyl)benzyl Bromide; 1-(bromomethyl)-4-(trifluoromethyl)benzene;1-(bromomethyl)-4-(trifluoromethyl)benzene

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 239.03 g/mol
Molecular Formula C8H6BrF3
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass237.96050 g/mol
Monoisotopic Mass237.96050 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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