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CAS 99-91-2
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 Weight 154.59 g/mol
Molecular Formula C8H7ClO
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass154.0185425 g/mol
Monoisotopic Mass154.0185425 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity125
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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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A journey of thousand miles begins with a small step. The story of Sodium Metal Pvt. Ltd. is no different...
A journey of thousand miles begins with a small step. The story of Sodium Metal Pvt. Ltd. is no different. Established in 1971 the Company began its operations by manufacturing just one product – Metallic Sodium. Enroute present day, Sodium Metal Pvt. Ltd., has not only grown in volumes but also elevated its experience and expertise
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Val Organics Private Limited was established in 1998, headquartered in Mumbai. Over a period, the Company...
Val Organics Private Limited was established in 1998, headquartered in Mumbai. Over a period, the Company has grown progressively to become a leading manufacturer of intermediates for Dyestuffs, Pigments, Pharma and Agro-chemical industries. Today we supply to most of the multinational and large renowned Indian companies in their respective fields. We are among the leading exporters of Intermediates in our market segments. Val Organics Private Limited is the leader of Friedel Crafts reactions and distillation processes in the country with high quality products and flexibility of the plant to cater to specific customer needs.
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