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CAS 22115-41-9
Also known as: 2-cyanobenzyl bromide, 22115-41-9, Alpha-bromo-o-tolunitrile, O-cyanobenzyl bromide, 2-cyanobenzylbromide, 2-bromomethyl-benzonitrile
Molecular Formula
C8H6BrN
Molecular Weight
196.04  g/mol
InChI Key
QGXNHCXKWFNKCG-UHFFFAOYSA-N

1 2D Structure

CAS 22115-41-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(bromomethyl)benzonitrile
2.1.2 InChI
InChI=1S/C8H6BrN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2
2.1.3 InChI Key
QGXNHCXKWFNKCG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)CBr)C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2-cyanobenzyl Bromide

2. 22115-41-9

3. Alpha-bromo-o-tolunitrile

4. O-cyanobenzyl Bromide

5. 2-cyanobenzylbromide

6. 2-bromomethyl-benzonitrile

7. A-bromo-o-tolunitrile

8. Benzonitrile, 2-(bromomethyl)-

9. 2-bromomethylbenzonitrile

10. Alpha Bromo-o-tolunitrile

11. 2(bromomethyl)benzonitrile

12. Mfcd00001794

13. (2-cyanophenyl)methyl Bromide

14. 2-cyanobenzylbromid

15. Alpha Bromotolunitrile

16. Alpha-bromotolunitrile

17. 2-cyano-benzylbromide

18. 2-cyano Benzyl Bromide

19. 2-cyano-benzyl Bromide

20. Alpha-bromo-o-tolunitril

21. 2-bromomethylcyanobenzene

22. 2-bromomethyl Benzonitrile

23. Schembl899

24. Alpha-bromo 2-cyanotoluene

25. .alpha.-bromo-o-tolunitrile

26. .alpha.-bromo-o-toluonitrile

27. 2-(bromomethyl) Benzonitrile

28. 1-bromomethyl-2-cyano-benzene

29. Ambz0155

30. O-tolunitrile, .alpha.-bromo-

31. Alpha-brom-o-tolunitrile

32. 1-(bromomethyl)-2-cyano-benzene

33. Dtxsid40176632

34. Act07629

35. Bcp08886

36. Str03681

37. Zinc2140876

38. Stk009853

39. 2-(bromomethyl)benzonitrile, >=97%

40. Akos000267981

41. Ac-7183

42. Cs-w018538

43. Sb35518

44. 182897-42-3

45. Db-019491

46. Am20090713

47. Ft-0622121

48. A25106

49. 115c419

50. J-014514

51. J-519570

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 196.04 g/mol
Molecular Formula C8H6BrN
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass194.96836 g/mol
Monoisotopic Mass194.96836 g/mol
Topological Polar Surface Area23.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity147
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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CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing ...
CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing business in over 70 countries. In these five years, all my thoughts and actions have been to enhance the life of my organization by serving the pharmaceutical industry with complete dedication. CTX is accredited with US FDA, EU GMP, PMDA Japan and COFEPRIS Mexico cGMP. The ultimate business strategy of CTX Life Sciences is “ to be a partner in the global pharmaceutical and chemical industries and continue to be a reliable and consistent supplier of APIs and Intermediates.
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