CAS 22115-41-9

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 29 Related Intermediates

2 Suppliers
2 End Use APIs
29 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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 Formula	C₈H₆BrN
Molecular Weight	196.04 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	194.96836 g/mol
Monoisotopic Mass	194.96836 g/mol
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	147
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