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    Technical details about CAS 5891-21-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 5891-21-4

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 5-chloropentan-2-one, 5891-21-4, 2-pentanone, 5-chloro-, 1-chloro-4-pentanone, 3-chloropropyl methyl ketone, 2-pentanone 5-chloro-
    Molecular Formula
    C5H9ClO
    Molecular Weight
    120.58  g/mol
    InChI Key
    XVRIEWDDMODMGA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloropentan-2-one
    2.1.2 InChI
    InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3
    2.1.3 InChI Key
    XVRIEWDDMODMGA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)CCCCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5-chloropentan-2-one

    2. 5891-21-4

    3. 2-pentanone, 5-chloro-

    4. 1-chloro-4-pentanone

    5. 3-chloropropyl Methyl Ketone

    6. 2-pentanone 5-chloro-

    7. Mfcd00001008

    8. 5-chloro-pentan-2-one

    9. Nsc 8427

    10. 1-chloro-4-oxopentane

    11. Einecs 227-565-8

    12. Nsc 60210

    13. Ai3-08709

    14. 3-acetylpropyl Chloride

    15. 5-chloranylpentan-2-one

    16. Methyl 3-chloropropyl Ketone

    17. Schembl724425

    18. Dtxsid9064053

    19. Xvriewddmodmga-uhfffaoysa-

    20. Nsc8427

    21. Nsc-8427

    22. Nsc60210

    23. Zinc1586735

    24. Bbl010617

    25. Nsc-60210

    26. Stk067503

    27. Akos000121103

    28. Cs-w013569

    29. As-11943

    30. Db-053284

    31. Ft-0620282

    32. 5-chloro-2-pentanone, Technical Grade, 85%

    33. D77754

    34. A832801

    35. Q-200538

    36. 5-chloro-2-pentanone, Stab. With Potassium Carbonate

    37. F0001-1541

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 120.58 g/mol
    Molecular Formula C5H9ClO
    XLogP30.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass120.0341926 g/mol
    Monoisotopic Mass120.0341926 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity61.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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