CAS 42872-30-0

Chemistry, 2 End Use API, 4 Related Intermediates

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Also known as: 42872-30-0, 2-(3-benzoylphenyl)propanenitrile, 2-(m-benzoylphenyl)propionitrile, 24336 r.p., 3-benzoyl-alpha-methylbenzeneacetonitrile, 3-(1-cyanoethyl)benzophenone

Molecular Formula

C₁₆H₁₃NO

Molecular Weight

235.28 g/mol

InChI Key

RGYOCHMZSLUCNP-UHFFFAOYSA-N

FDA UNII

T1XT2245YV

1 2D Structure

CAS 42872-30-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3-benzoylphenyl)propanenitrile

2.1.2 InChI

InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3

2.1.3 InChI Key

RGYOCHMZSLUCNP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

T1XT2245YV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 42872-30-0

2. 2-(3-benzoylphenyl)propanenitrile

3. 2-(m-benzoylphenyl)propionitrile

4. 24336 R.p.

5. 3-benzoyl-alpha-methylbenzeneacetonitrile

6. 3-(1-cyanoethyl)benzophenone

7. T1xt2245yv

8. (2rs)-2-(3-benzoylphenyl)propanenitrile

9. Benzeneacetonitrile, 3-benzoyl-.alpha.-methyl-

10. Einecs 255-982-5

11. Benzeneacetonitrile, 3-benzoyl-alpha-methyl-

12. Brn 2844731

13. Unii-t1xt2245yv

14. Ketprofen Nitrile

15. Ketoprofen Nitrile

16. Ec 255-982-5

17. Schembl687542

18. 2-(3-benzoylphenyl)propanitrile

19. Rgyochmzslucnp-uhfffaoysa-

20. Dtxsid20962752

21. Alpha-(m-benzoylphenyl)propionitrile

22. Amy11415

23. Ketoprofen Related Compound F

24. 2-(3-benzoylphenyl)propanenitrile #

25. 2-[3-(benzoyl)phenyl]propanenitrile

26. Alpha-(m-benzoylphenyl)-propionitrile

27. Mfcd00044435

28. Akos015895867

29. 3-benzoyl-alpha-methylphenylacetonitrile

30. 2-(3-benzoylphenyl)propionitrile, 95%

31. Ac-16248

32. As-15423

33. Db-050981

34. Ketoprofen Impurity F [ep Impurity]

35. B2939

36. Cs-0154987

37. Ft-0639810

38. Ft-0654153

39. D84188

40. Ketoprofen Related Compound F [usp-rs]

41. A826041

42. 2-(3-benzoylphenyl)propionitrile, (+/-)-

43. W-106256

44. Q27289555

45. 2-(3-benzoylphenyl)propanenitrile;2-(3-benzoylphenyl)propionitrile

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₃NO
Molecular Weight	235.28 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	235.099714038 g/mol
Monoisotopic Mass	235.099714038 g/mol
Topological Polar Surface Area	40.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	334
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Acharya Chemicals

Acharya Group, providing everything you need in the chemical industry!

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2-(3-Benzoylphenyl)propionitrile

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CAS Number

42872-30-0

End Use API

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renow...

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renowned for its commitment to technological excellence. Acharya’s core operations include the production, contract research and custom manufacturing of APIs, intermediates and specialty chemicals. With an annual turnover of ₹125 crores, where more than 90% is generated through global exports, Acharya Group has a proven track record of serving the European and US markets. Equipped with five independent manufacturing facilities, Acharya possesses extensive expertise in handling production across various scales, from laboratory to plant.

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BEC Chemicals Pvt. Ltd

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India

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Ketoprofen Nitrole

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CAS Number

42872-30-3

End Use API

Ketoprofen

About the Company

BEC Chemicals Pvt. Ltd., was founded by Late Mr. M. T. Shah in 1979 and is specialized in manufacturing o...

BEC Chemicals Pvt. Ltd., was founded by Late Mr. M. T. Shah in 1979 and is specialized in manufacturing of Active pharmaceutical Ingredients (API’s) and Intermediates. The company’s head office is based in Mumbai (close to the International Airport) and manufacturing unit at Roha (125 kms from Mumbai). The manufacturing unit has been approved by Indian, American ,European and Japanese Drug Authority and is EU-GMP, USFDA , WHO-GMP , State GMP and PMDA Certified. The company is ISO 9001:2008, 14001:2004, 18000:2007, OHSAS certified by SGS-UK.

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