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    4'-Chloroacetophenone

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 1,217Xls

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    2D Structure
    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

    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 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