CAS 22115-41-9

Chemistry, 2 End Use API, 23 Related Intermediates

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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

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2-CyanobenzyI bromide

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CAS Number

22115-41-9

End Use API

Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceut...

Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceutical is engaged in the manufacturing and sales of high quality APIs and Intermediates.

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CAS Number

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End Use API

Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...

Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.

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