CAS 114772-54-2

Chemistry, 22 End Use API, 103 Related Intermediates

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3 Intermediates

3 Intermediates

Also known as: 114772-54-2, 2-[4-(bromomethyl)phenyl]benzonitrile, 4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile, 2-cyano-4'-bromomethylbiphenyl, 4'-bromomethyl-2-biphenylcarbonitrile, 2-(4-bromo-methylphenyl) benzonitrile

Molecular Formula

C₁₄H₁₀BrN

Molecular Weight

272.14 g/mol

InChI Key

LFFIEVAMVPCZNA-UHFFFAOYSA-N

FDA UNII

UI5JR3K10F

1 2D Structure

CAS 114772-54-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-(bromomethyl)phenyl]benzonitrile

2.1.2 InChI

InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2

2.1.3 InChI Key

LFFIEVAMVPCZNA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr

2.2 Other Identifiers

2.2.1 UNII

UI5JR3K10F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 114772-54-2

2. 2-[4-(bromomethyl)phenyl]benzonitrile

3. 4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile

4. 2-cyano-4'-bromomethylbiphenyl

5. 4'-bromomethyl-2-biphenylcarbonitrile

6. 2-(4-bromo-methylphenyl) Benzonitrile

7. 4'-bromomethylbiphenyl-2-carbonitrile

8. 2'-cyano-4-bromomethylbiphenyl

9. 4'-(bromomethyl)-2-cyanobiphenyl

10. (bromomethylphenyl-4')-2 Benzonitrile

11. 2-(4-bromomethylphenyl)benzonitrile

12. Ui5jr3k10f

13. 2'-cyano-4-bromomethyl Biphenyl

14. [1,1'-biphenyl]-2-carbonitrile, 4'-(bromomethyl)-

15. 4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile

16. 4'-(bromomethyl)biphenyl-2-carbonitrile

17. 4'-(bromomethyl)-biphenyl-2-carbonitrile

18. 4'-bromomethyl-biphenyl-2-carbonitrile

19. 4-(2-cyanophenyl)benzyl Bromide

20. 4'-(bromomethyl)(1,1'-biphenyl)-2-carbonitrile

21. 4'-(bromomethyl)[1,1'-biphenyl]-2-carbonitrile

22. (1,1'-biphenyl)-2-carbonitrile, 4'-(bromomethyl)-

23. 4-bromomethyl-2'-cyanobiphenyl

24. Bmcb

25. Sartan Bromo Biphenyl

26. Schembl357

27. Unii-ui5jr3k10f

28. Ec 601-327-7

29. 4-bromomethyl-2-cyanophenyl

30. 4;-bromomethyl-2-cyanobiphenyl

31. 4'-bromo Methyl-2-cyanobiphenyl

32. 4'-bromomethyl-2-cyano Biphenyl

33. 4'-bromomethyl-2-cyano-biphenyl

34. 4-bromomethyl-2'-cyano-biphenyl

35. Lffievamvpczna-uhfffaoysa-

36. Dtxsid30363559

37. 2-cyano-4'-(bromomethyl)biphenyl

38. 4 -(2-cyanophenyl)benzyl Bromide

39. 4'-bromo Methyl-2-cyano Biphenyl

40. 4-(bromomethyl)-2'-cyanobiphenyl

41. Bcp04511

42. Zinc1420574

43. Cx1154

44. Mfcd00671503

45. 4'-bromomethyl-2-cyanobiphenyl-[d4]

46. Akos009116156

47. (2'-cyanobiphenyl-4-yl)methyl Bromide

48. 2'-(cyano)biphenyl-4-yl-methylbromide

49. 2'-(cyano)biphenyl-4-ylmethyl Bromide

50. Ac-6862

51. Cs-w002659

52. 4-bromomethyl-2'-cyano-1,1'-biphenyl

53. 4'-bromomethyl-1,1'-biphenyl-2-nitrile

54. As-11904

55. Db-011313

56. 2-(4'-bromomethylphenyl)benzonitrile

57. 4'-bromomethyl-2-biphenylcarbonitrile, 97%

58. Am20060853

59. Ft-0616705

60. Ft-0657182

61. En300-26985

62. 72b542

63. 4'-(bromomethyl) [1,1'-biphenyl]-2-carbonitrile

64. J-003132

65. J-513655

2.4 Create Date

2005-07-11

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₀BrN
Molecular Weight	272.14 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	270.99966 g/mol
Monoisotopic Mass	270.99966 g/mol
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	259
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