CAS 99-91-2

Chemistry, 2 End Use API, 3 Related Intermediates

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Also known as: 99-91-2, 1-(4-chlorophenyl)ethanone, 4-chloroacetophenone, P-chloroacetophenone, Ethanone, 1-(4-chlorophenyl)-, 4-acetylchlorobenzene

Molecular Formula

C₈H₇ClO

Molecular Weight

154.59 g/mol

InChI Key

BUZYGTVTZYSBCU-UHFFFAOYSA-N

FDA UNII

ZV4A71K303

1 2D Structure

CAS 99-91-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-chlorophenyl)ethanone

2.1.2 InChI

InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

2.1.3 InChI Key

BUZYGTVTZYSBCU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC=C(C=C1)Cl

2.2 Other Identifiers

2.2.1 UNII

ZV4A71K303

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-chloroacetophenone

2.3.2 Depositor-Supplied Synonyms

1. 99-91-2

2. 1-(4-chlorophenyl)ethanone

3. 4-chloroacetophenone

4. P-chloroacetophenone

5. Ethanone, 1-(4-chlorophenyl)-

6. 4-acetylchlorobenzene

7. 1-(4-chlorophenyl)ethan-1-one

8. Acetophenone, 4'-chloro-

9. P-chloracetophenone

10. P-acetylchlorobenzene

11. Usaf Do-1

12. 1-(4-chlorophenyl)-ethanone

13. Methyl P-chlorophenyl Ketone

14. P-chlorophenyl Methyl Ketone

15. 4-chlorophenyl Methyl Ketone

16. Methyl 4-chlorophenyl Ketone

17. Mfcd00000624

18. 4-chloro Acetophenone

19. 1-(4-chloro-phenyl)-ethanone

20. Chembl608419

21. Zv4a71k303

22. Nsc-6115

23. Chloroacetophenone-4

24. Hsdb 2088

25. Nsc 6115

26. Einecs 202-800-7

27. Brn 0386014

28. Unii-zv4a71k303

29. Ai3-01370

30. P-choroacetophenone

31. 4-chloracetophenone

32. P'-chloroacetophenone

33. P-chloro-acetophenone

34. 4-chloroace-tophenone

35. 4`-chloroacetophenone

36. 4\'-chloroacetophenone

37. Bmse000518

38. Wln: Gr Dv1

39. Schembl75640

40. 4-07-00-00639 (beilstein Handbook Reference)

41. 4'-chloroacetophenone, 97%

42. Dtxsid1052668

43. 1-(4-chlorophenyl)ethane-1-one

44. Nsc6115

45. P-chloroacetophenone [mi]

46. Zinc896324

47. Acetophenone, 4'-chloro- (8ci)

48. P-chloroacetophenone [hsdb]

49. Act00279

50. 3,4,5-tris(benzyloxy)benzylalcohol

51. Bbl013140

52. Bdbm50304447

53. Stk400323

54. Akos000118934

55. Zinc100500256

56. Cs-w016264

57. Am20050032

58. Ft-0617963

59. C06647

60. N10056

61. A846097

62. A904839

63. Q-200456

64. Q27295903

65. Z57127462

66. F2147-0328

67. 238399-91-2

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇ClO
Molecular Weight	154.59 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	154.0185425 g/mol
Monoisotopic Mass	154.0185425 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125
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

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

P-CHLOROACETOPHENONE YIELDS IN RABBITS 1-(P-CHLOROPHENYL)ETHANOL. /FROM TABLE/

Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. C-15

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Polpharma is a Poland-based CDMO and API producer. With over 70 years of experience, it is Poland's bigge...

Polpharma is a Poland-based CDMO and API producer. With over 70 years of experience, it is Poland's biggest API manufacturer. It provides its customers with materials ranging from clinical quantities up to market supply. Polpharma has fully integrated all of its operations, from R&D to manufacturing, leveraging all its key competencies to deliver cost-effective and on-time solutions to its customers. It manufactures APIs at a cGMP-compliant and FDA-approved multipurpose plant. It has invested US$ 45 million to expand its API plant in Starogard Gdanski to include HPAPI and cryogenic technologies, as well as a pilot plant and R&D capabilities.

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Clemastine

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Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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