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    Technical details about CAS 3350-78-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 3350-78-5

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    2D Structure
    1. Also known as: 3350-78-5, 3-methylbut-2-enoyl chloride, 3-methylcrotonoyl chloride, 3-methyl-2-butenoyl chloride, 3-methyl-but-2-enoyl chloride, 2-butenoyl chloride, 3-methyl-
    Molecular Formula
    C5H7ClO
    Molecular Weight
    118.56  g/mol
    InChI Key
    BDUBTLFQHNYXPC-UHFFFAOYSA-N
    FDA UNII
    F5J5J5448C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-methylbut-2-enoyl chloride
    2.1.2 InChI
    InChI=1S/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H3
    2.1.3 InChI Key
    BDUBTLFQHNYXPC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=CC(=O)Cl)C
    2.2 Other Identifiers
    2.2.1 UNII
    F5J5J5448C
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3350-78-5

    2. 3-methylbut-2-enoyl Chloride

    3. 3-methylcrotonoyl Chloride

    4. 3-methyl-2-butenoyl Chloride

    5. 3-methyl-but-2-enoyl Chloride

    6. 2-butenoyl Chloride, 3-methyl-

    7. 3,3-dimethylacrylyl Chloride

    8. F5j5j5448c

    9. 3,3-dimethylacryloylchloride

    10. Senecioyl Chloride

    11. Einecs 222-109-4

    12. Dimethylacrylyl Chloride

    13. Dimethyl Acryloyl Chloride

    14. Beta-methylcrotonyl Chloride

    15. 3-methyl-crotonoyl Chloride

    16. 3-methylbut-2-enoylchloride

    17. 3-methylbut-2-en-oylchloride

    18. Schembl250153

    19. Unii-f5j5j5448c

    20. 3,3 Dimethyl Acryloyl Chloride

    21. 3,3-dimethyl Acryloyl Chloride

    22. 3,3-dimethyl-acryloyl Chloride

    23. 3,3,-dimethyl Acryloyl Chloride

    24. 3-methyl-2-butenoyl Chloride #

    25. Dtxsid80187146

    26. 3-methyl-2-butenoic Acid Chloride

    27. 3-methyl-but-2-en-1-oyl Chloride

    28. Zinc2140825

    29. Bbl027309

    30. Mfcd00000730

    31. Stl373494

    32. Akos015902972

    33. Beta,beta-dimethylacrylic Acid Chloride

    34. Vs-08522

    35. Db-048426

    36. Ft-0634794

    37. E80417

    38. A822262

    39. J-512896

    40. 3-methylbut-2-enoyl Chloride Contains 400 Ppm Phenothiazine As Inhibitor

    41. 3,3-dimethylacryloyl Chloride, 97%, Contains 400 Ppm Phenothiazine As Inhibitor

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 118.56 g/mol
    Molecular Formula C5H7ClO
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass118.0185425 g/mol
    Monoisotopic Mass118.0185425 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity101
    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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