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Chemistry

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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

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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ACTIVE PHARMA INGREDIENTS

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ACTIVE PHARMA INGREDIENTS

API REF. PRICE (USD/KG)

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MARKET PLACE

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