Luna Chemicals

CAS 120511-84-4

Chemistry, 3 End Use API, 10 Related Intermediates

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3 Suppliers

Also known as: 120511-84-4, 3,5-bis(2-cyanoprop-2-yl)benzyl bromide, 5-bromomethyl anastrozole, Ois19a3u1g, 2,2'-(5-bromomethyl-1,3-phenylene)-di-(2-methylpropionitrile), 2-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile

Molecular Formula

C₁₅H₁₇BrN₂

Molecular Weight

305.21 g/mol

InChI Key

IHXHGCDOJLOZML-UHFFFAOYSA-N

FDA UNII

OIS19A3U1G

1 2D Structure

CAS 120511-84-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile

2.1.2 InChI

InChI=1S/C15H17BrN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3

2.1.3 InChI Key

IHXHGCDOJLOZML-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C#N)C1=CC(=CC(=C1)CBr)C(C)(C)C#N

2.2 Other Identifiers

2.2.1 UNII

OIS19A3U1G

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 120511-84-4

2. 3,5-bis(2-cyanoprop-2-yl)benzyl Bromide

3. 5-bromomethyl Anastrozole

4. Ois19a3u1g

5. 2,2'-(5-bromomethyl-1,3-phenylene)-di-(2-methylpropionitrile)

6. 2-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile

7. 5-(bromomethyl)-a,a,a',a'-tetramethyl-1,3-benzenediacetonitrile

8. 2,2-(5-(bromomethyl)benzene-1,3-diyl)bis(2-methylpropanenitrile)

9. 2,2'-[5-(bromomethyl)-1,3-phenylene]bis(2-methylpropanenitrile)

10. 2-[3-(bromomethyl)-5-(1-cyano-1-methylethyl)phenyl]-2-methylpropanenitrile

11. Anastrozole Impurity D

12. Anastrozole Impurity Iv

13. Unii-ois19a3u1g

14. 3,5-bis(1-cyano-1-methylethyl)benzyl Bromide

15. Anastrozole Impurity C [ep]

16. Amy197

17. Schembl2258695

18. 5-bromomethyl Anastrozole [usp]

19. Dtxsid30468018

20. Bcp08812

21. Mfcd07782114

22. Zinc21986320

23. 2,2'-(5-bromomethyl-1,3-phenylene)di(2-methylpropiononitrile)

24. Akos015889686

25. Ac-6804

26. 3,5-bis(2-cyanoprop-2-yl)benzylbromide

27. Ds-15010

28. Db-049866

29. Anastrozole Impurity C [ep Impurity]

30. Cs-0179353

31. Ft-0642941

32. 11b844

33. 3,5-bis-(1-cyano-1-methylethyl)benzylbromide

34. F12198

35. 3,5-bis(1-cyano-1-methylethyl) Benzyl Bromide

36. 5-bromomethyl Anastrozole [usp Impurity]

37. Q-100987

38. 2,2'-(5-bromomethyl-1,3-phenylene)di(2-methylpropionitrile)

39. 5-(bromomethyl)-a,a,a,a-tetramethyl-1,3-benzenediacetonitrile

40. 2,2'-[5-(bromomethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile)

41. 2,2-(5-(bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile)

42. 2,2\'-(5-(bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile)

43. 5-bromomethyl-alpha,alpha,alpha,alpha-tetramethyl-1,3-benzenediacetonitrile

44. 2,2'-(5-(bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile) (anastrozole Impurity)

45. 2-[3-(bromomethyl)-5-(1-cyano-1-methylethyl)-phenyl]-2-methylpropanenitrile

46. Alpha , Alpha , Alpha ', Alpha '-tetramethyl-5-bromomethyl-1,3-benzenediacetonitrile

47. Alpha,alpha,alpha',alpha'-tetramethyl-5-bromomethyl-1,3-benzene-diacetonitrile

48. 5-(bromomethyl)-

49. A Inverted Exclamation Mark,

50. A Inverted Exclamation Mark,

51. A Inverted Exclamation Mark,

52. A Inverted Exclamation Mark-tetramethyl-1,3-benzenediacetonitrile

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₇BrN₂
Molecular Weight	305.21 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	304.05751 g/mol
Monoisotopic Mass	304.05751 g/mol
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	357
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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3,5-Bis-(2-cyanoisopropyl) toluene

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CAS Number

1210-35-1

End Use API

Anastrozole

About the Company

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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