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    Technical details about CAS 821-06-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 821-06-7

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    2D Structure
    1. Also known as: 821-06-7, (e)-1,4-dibromobut-2-ene, Trans-1,4-dibromo-2-butene, (e)-1,4-dibromo-2-butene, 1,4-dibromobut-2-ene, 6974-12-5
    Molecular Formula
    C4H6Br2
    Molecular Weight
    213.90  g/mol
    InChI Key
    RMXLHIUHKIVPAB-OWOJBTEDSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-1,4-dibromobut-2-ene
    2.1.2 InChI
    InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
    2.1.3 InChI Key
    RMXLHIUHKIVPAB-OWOJBTEDSA-N
    2.1.4 Canonical SMILES
    C(C=CCBr)Br
    2.1.5 Isomeric SMILES
    C(/C=C/CBr)Br
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Trans-1,4-dibromo-2-butene

    2.2.2 Depositor-Supplied Synonyms

    1. 821-06-7

    2. (e)-1,4-dibromobut-2-ene

    3. Trans-1,4-dibromo-2-butene

    4. (e)-1,4-dibromo-2-butene

    5. 1,4-dibromobut-2-ene

    6. 6974-12-5

    7. 2-butene, 1,4-dibromo-, (2e)-

    8. Trans-1,4-dibromobut-2-ene

    9. (2e)-1,4-dibromobut-2-ene

    10. 1,4-dibromo-2-butylene

    11. Tl 80

    12. 2-butene, 1,4-dibromo-

    13. (2e)-1,4-dibromo-2-butene

    14. 30794-77-5

    15. Mfcd00000249

    16. Einecs 212-472-7

    17. Brn 1719696

    18. Einecs 230-219-9

    19. 2-butene, 1,4-dibromo-, (e)-

    20. Brn 1719694

    21. 2-butene, 1,4-dibromo-, Trans-

    22. 1,4-dibromo-2-buten

    23. Dsstox_cid_4941

    24. E-1,4-dibromobut-2-ene

    25. Ec 212-472-7

    26. Dsstox_rid_77591

    27. Dsstox_gsid_24941

    28. 1,4-trans-dibromo-2-butene

    29. 4-01-00-00791 (beilstein Handbook Reference)

    30. Trans 1,4-dibromobut-2-ene

    31. Schembl102759

    32. Schembl137154

    33. (e)-1,4-dibromo-but-2-ene

    34. Chembl1324439

    35. Dtxsid8024941

    36. Act03298

    37. Bcp28223

    38. Zinc1602462

    39. Tox21_202728

    40. Stl280288

    41. Trans-1,4-dibromo-2-butene, 99%

    42. Akos015833855

    43. Fs-4554

    44. Ncgc00091773-01

    45. Ncgc00260276-01

    46. Cas-821-06-7

    47. Ls-12982

    48. Db-027256

    49. Cs-0017873

    50. D2944

    51. A19492

    52. D72529

    53. F16803

    54. 2-01-00-00177 (beilstein Handbook Reference)

    55. W-104187

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 213.90 g/mol
    Molecular Formula C4H6Br2
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count2
    Exact Mass213.88158 g/mol
    Monoisotopic Mass211.88363 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity34.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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