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    Technical details about 3'-Chloroacetophenone, learn more about the structure, uses, toxicity, action, side effects and more

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    3'-Chloroacetophenone

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 99-02-5, 1-(3-chlorophenyl)ethanone, M-chloroacetophenone, 3-chloroacetophenone, 1341-24-8, 1-(3-chlorophenyl)ethan-1-one
    Molecular Formula
    C8H7ClO
    Molecular Weight
    154.59  g/mol
    InChI Key
    UUWJBXKHMMQDED-UHFFFAOYSA-N
    A potent eye, throat, and skin irritant. One of its uses is as a riot control agent.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(3-chlorophenyl)ethanone
    2.1.2 InChI
    InChI=1S/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
    2.1.3 InChI Key
    UUWJBXKHMMQDED-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC(=CC=C1)Cl
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2 Chloro 1 Phenylethanone

    2. 2 Chloroacetophenone

    3. 2-chloro-1-phenylethanone

    4. 2-chloroacetophenone

    5. 3' Chloroacetophenone

    6. Alpha Chloroacetophenone

    7. Alpha-chloroacetophenone

    8. Chloracetophenone

    9. Chloroacetophenone

    10. Mace

    11. Omega Chloroacetophenone

    12. Omega-chloroacetophenone

    2.2.2 Depositor-Supplied Synonyms

    1. 99-02-5

    2. 1-(3-chlorophenyl)ethanone

    3. M-chloroacetophenone

    4. 3-chloroacetophenone

    5. 1341-24-8

    6. 1-(3-chlorophenyl)ethan-1-one

    7. Ethanone, 1-(3-chlorophenyl)-

    8. 1-(3-chloro-phenyl)-ethanone

    9. Mfcd00000593

    10. Acetophenone, 3'-chloro-

    11. Einecs 202-721-8

    12. 3-chloro-acetophenone

    13. 3'-chloroacetylphenone

    14. 3'-chloroacetophenone.

    15. (3-chlorophenyl)ethanone

    16. Methyl 3-chlorophenyl Ketone

    17. Schembl54859

    18. 1-(3-chlorophenyl)-ethanone

    19. 3'-chloroacetophenone, 98%

    20. 1-(3-chlorophenyl)ethanone #

    21. Methyl (3-chlorophenyl) Ketone

    22. Dtxsid8059182

    23. Act01189

    24. Amy21896

    25. Str01012

    26. Zinc2039606

    27. Stl185559

    28. Akos000119374

    29. Cs-w018028

    30. Ps-4035

    31. Ac-13732

    32. Bp-20184

    33. Db-057756

    34. Ft-0615447

    35. Ft-0649549

    36. D77821

    37. A806737

    38. A845946

    39. A922725

    40. W-100057

    41. Q26840979

    42. F0001-2329

    43. Z1250132543

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 154.59 g/mol
    Molecular Formula C8H7ClO
    XLogP32.5
    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
    Complexity133
    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 MeSH Pharmacological Classification

    Irritants

    Drugs that act locally on cutaneous or mucosal surfaces to produce inflammation; those that cause redness due to hyperemia are rubefacients; those that raise blisters are vesicants and those that penetrate sebaceous glands and cause abscesses are pustulants; tear gases and mustard gases are also irritants. (See all compounds classified as Irritants.)

    Tear Gases

    Gases that irritate the eyes, throat, or skin. Severe lacrimation develops upon irritation of the eyes. (See all compounds classified as Tear Gases.)

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