CAS 114772-53-1

Chemistry, 3 End Use API, 35 Related Intermediates

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Also known as: 114772-53-1, 4'-methyl-2-cyanobiphenyl, 2-(4-methylphenyl)benzonitrile, 4'-methylbiphenyl-2-carbonitrile, 4'-methyl-[1,1'-biphenyl]-2-carbonitrile, 2-cyano-4'-methyl biphenyl

Molecular Formula

C₁₄H₁₁N

Molecular Weight

193.24 g/mol

InChI Key

ZGQVZLSNEBEHFN-UHFFFAOYSA-N

FDA UNII

O417TI15TA

1 2D Structure

CAS 114772-53-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-methylphenyl)benzonitrile

2.1.2 InChI

InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3

2.1.3 InChI Key

ZGQVZLSNEBEHFN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2C#N

2.2 Other Identifiers

2.2.1 UNII

O417TI15TA

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4'-methylbiphenyl-2-carbonitrile

2.3.2 Depositor-Supplied Synonyms

1. 114772-53-1

2. 4'-methyl-2-cyanobiphenyl

3. 2-(4-methylphenyl)benzonitrile

4. 4'-methylbiphenyl-2-carbonitrile

5. 4'-methyl-[1,1'-biphenyl]-2-carbonitrile

6. 2-cyano-4'-methyl Biphenyl

7. 2-(p-tolyl)benzonitrile

8. 4'-methyl-2-biphenylcarbonitrile

9. [1,1'-biphenyl]-2-carbonitrile, 4'-methyl-

10. Mfcd00151805

11. 4'-methyl[1,1'-biphenyl]-2-carbonitrile

12. O417ti15ta

13. 2'-cyano-4-methylbiphenyl

14. Benzonitrile, 2-(4-methylphenyl)-

15. Unii-o417ti15ta

16. O-(p-tolyl)benzonitrile

17. Schembl313

18. 2-(p-tolyl) Benzonitrile

19. 4-(2-cyanophenyl)toluene

20. 4-methyl-2'-cyanobiphenyl

21. 2-(4-tolyl)-benzonitrile

22. 2-cyano-4'-methyibiphenyl

23. Dsstox_cid_31412

24. Dsstox_rid_97298

25. Dsstox_gsid_57623

26. 2- Cyano-4'-methylbiphenyl

27. 2-cyano-4'-methyl-biphenyl

28. 4'-methylbiphenyl-2-nitrile

29. 4\'-methyl-2-cyanobiphenyl

30. Chembl3187557

31. Dtxsid0057623

32. 2-(4'-methylphenyl)benzonitrile

33. 2-cyano4'-methyl-1,1'-biphenyl

34. Bcp12485

35. Zinc1256886

36. 2-cyano-4'-methyl-1,1'-biphenyl

37. 2-cyano-4'-methylbiphenyl (otbn)

38. Tox21_113764

39. Lt0038

40. 4'-methyl-1,1'-biphenyl-2-nitrile

41. Akos002683385

42. Ac-6861

43. Am90279

44. Cs-w015764

45. 4'-methyl-2-biphenylcarbonitrile, 98%

46. Ncgc00253637-01

47. 4'-methyl-1,1'-biphenyl-2-carbonitrile

48. Db-002574

49. Bb 0223502

50. Cas-114772-53-1

51. Ft-0612098

52. 4'-methyl[1,1'-biphenyl]-2-carbonitrile #

53. 7j-918

54. F11204

55. Sr-01000944804

56. Boc-(r)-3-amino-3-(2-nitro-phenyl)-propionicacid

57. Q-200143

58. Sr-01000944804-1

59. Q27285301

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₁N
Molecular Weight	193.24 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	193.089149355 g/mol
Monoisotopic Mass	193.089149355 g/mol
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	241
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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CAS Number

114772-53-1

Intermediate Name

4'-Methyl-2-cyanobiphenyl 3-Ethoxy-...

About the Company

SAINTSUN PHARMA, we are engaging mainly in the manufacturing and distributing APIs, Pharmaceutical Interm...

SAINTSUN PHARMA, we are engaging mainly in the manufacturing and distributing APIs, Pharmaceutical Intermediates, Chemicals, Formulations, Medical supplies, etc... With a self-owned brand of "SAINTSUN PHARMA", after more than 12 years efforts, our products are successfully expanded to different continents like Asia, South America, Africa more than 35 countries and regions.

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CAS Number

114772-53-1

Intermediate Name

2-CYANO-4-METHYLBIPHENYL ( OTBN)

About the Company

Shandong Huayang Pharmaceutical Co., Ltd./Juye Xiandai Fine Chemical Co., Ltd began operations in 2009 wi...

Shandong Huayang Pharmaceutical Co., Ltd./Juye Xiandai Fine Chemical Co., Ltd began operations in 2009 within the chemical industry hub of Juye County, Heze City, Shandong Province. As a nationally recognized high-tech enterprise, we specialize in the research, development, and production of Active Pharmaceutical Ingredients (APIs) and intermediates. Our facilities span a combined area exceeding 145,200 square meters across two plants.

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CAS Number

114772-53-1

Intermediate Name

2-Cyano-4'-methyIbiphenyI

About the Company

Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...

Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.

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