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    Technical details about Chloroacetyl Chloride, learn more about the structure, uses, toxicity, action, side effects and more

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    Chloroacetyl Chloride

    PRICE INFORMATION

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    2D Structure
    1. Also known as: 79-04-9, 2-chloroacetyl chloride, Acetyl chloride, chloro-, Chloracetyl chloride, Chloroacetic chloride, Monochloroacetyl chloride
    Molecular Formula
    C2H2Cl2O
    Molecular Weight
    112.94  g/mol
    InChI Key
    VGCXGMAHQTYDJK-UHFFFAOYSA-N
    FDA UNII
    K5UML06YUO
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloroacetyl chloride
    2.1.2 InChI
    InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2
    2.1.3 InChI Key
    VGCXGMAHQTYDJK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(C(=O)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    K5UML06YUO
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Monochloroacetyl Chloride

    2.3.2 Depositor-Supplied Synonyms

    1. 79-04-9

    2. 2-chloroacetyl Chloride

    3. Acetyl Chloride, Chloro-

    4. Chloracetyl Chloride

    5. Chloroacetic Chloride

    6. Monochloroacetyl Chloride

    7. Chloroacetylchloride

    8. Chloroacetic Acid Chloride

    9. Chlorure De Chloracetyle

    10. Chloracetylchloride

    11. Chlorid Kyseliny Chloroctove

    12. Chloro Acetyl Chloride

    13. Chloro-acetyl Chloride

    14. Chloroethanoyl Chloride

    15. K5uml06yuo

    16. Acetyl Chloride, 2-chloro-

    17. Monochloroacetic Acid Chloride

    18. .alpha.-chloroacetyl Chloride

    19. Chebi:34624

    20. Mfcd00000725

    21. Ccris 9145

    22. Hsdb 973

    23. Chlorure De Chloracetyle [french]

    24. Chlorid Kyseliny Chloroctove [czech]

    25. Einecs 201-171-6

    26. Unii-k5uml06yuo

    27. Un1752

    28. Brn 0605439

    29. Chloroacetylchlonde

    30. Chloroacetylchoride

    31. Chloroactylchloride

    32. Chloroacetylchlorid

    33. Chloro Acetylchlorid

    34. Chloroacetyl Choride

    35. Chloroactyl Chloride

    36. Choroacetyl Chloride

    37. Chioroacetyl Chloride

    38. Chloro-acetylchloride

    39. Chloroacetyl-chloride

    40. Chloro Acetylchloride

    41. Ch2clcocl

    42. Clch2cocl

    43. Chloro-actyl Chloride

    44. Chloroacethyl Chloride

    45. 2-chloroacetylchloride

    46. Chloroacetyl Chloride-

    47. A-chloroacetyl Chloride

    48. 2-chloro Acetylchloride

    49. 2-chloro-acetylchloride

    50. 2-chloroacetic Chloride

    51. Alpha-chloroacetylchloride

    52. 2-chloro-acetyl Chloride

    53. Alpha-chloro-acetylchloride

    54. Dsstox_cid_6472

    55. Alpha-chloroacetyl Chloride

    56. Ec 201-171-6

    57. 2-chloranylethanoyl Chloride

    58. Schembl9584

    59. 2-chloroacetic Acid Chloride

    60. Chloroacetyl Chloride, 98%

    61. Dsstox_rid_78120

    62. Dsstox_gsid_26472

    63. Chembl3187685

    64. Dtxsid4026472

    65. Chloracetyl Chloride [mi]

    66. Amy40193

    67. Bcp25293

    68. Zinc3860850

    69. Chloroacetyl Chloride [hsdb]

    70. Tox21_200644

    71. Bbl013127

    72. Stk399762

    73. Akos000121312

    74. Un 1752

    75. Cas-79-04-9

    76. Ncgc00248777-01

    77. Ncgc00258198-01

    78. Vs-03683

    79. Chloroacetyl Chloride [un1752] [poison]

    80. Chloroacetyl Chloride, Purum, >=99.0% (gc)

    81. A839561

    82. Q411258

    83. J-520024

    84. F2190-0033

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 112.94 g/mol
    Molecular Formula C2H2Cl2O
    XLogP31.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass111.9482701 g/mol
    Monoisotopic Mass111.9482701 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count5
    Formal Charge0
    Complexity42.9
    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

    Oxidation of the vinyl halide carcinogen and hepatotoxin vinylidene chloride (VDC) by microsomal cytochrome p450 yields 2,2-dichloroacetaldehyde, 2-chloroacetyl chloride, 2-chloroacetic acid, and l,l-dichloroethylene oxide. The roles of these metabolites in covalent modification of proteins and reduced glutathione (GSH) were examined. 2-Chloroacetyl chloride reacted with model thiols at least 10(3)-fold faster than did l,l-dichloroethylene oxide and at least 10(5)-fold faster than did 2,2-dichloroacetaldehyde or 2-chloroacetic acid.

    PMID:3965130 Liebler DC et al; Cancer Res 45 (1): 186-93 (1985)

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