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    Technical details about CAS 85116-37-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 85116-37-6

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    2D Structure
    Also known as: 85116-37-6, (-)-diisopinocampheyl chloroborane, (-)-dip chloride, (-)-dip-chloride (~60per cent in heptane), (-)-b-chlorodiisopinocampheylborane (60% in hexane, ca. 1.7mol/l), Chloro-bis[(1r,2s,3r,5r)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
    Molecular Formula
    C20H34BCl
    Molecular Weight
    320.7  g/mol
    InChI Key
    PSEHHVRCDVOTID-VMAIWCPRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    chloro-bis[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
    2.1.2 InChI
    InChI=1S/C20H34BCl/c1-11-15-7-13(19(15,3)4)9-17(11)21(22)18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15-,16-,17-,18-/m1/s1
    2.1.3 InChI Key
    PSEHHVRCDVOTID-VMAIWCPRSA-N
    2.1.4 Canonical SMILES
    B(C1CC2CC(C1C)C2(C)C)(C3CC4CC(C3C)C4(C)C)Cl
    2.1.5 Isomeric SMILES
    B([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)([C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 85116-37-6

    2. (-)-diisopinocampheyl Chloroborane

    3. (-)-dip Chloride

    4. (-)-dip-chloride (~60per Cent In Heptane)

    5. (-)-b-chlorodiisopinocampheylborane (60% In Hexane, Ca. 1.7mol/l)

    6. Chloro-bis[(1r,2s,3r,5r)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

    7. Chlorobis((1r,2s,3r,5r)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borane

    8. (-)-ipc2bcl

    9. Ipc2bcl

    10. (-)-b-chlorodiisopinocampheylborane (55-65% In Heptane, Ca. 1.7mol/l)

    11. Mfcd00074807

    12. Chlorodiisopinocampheylborane

    13. (-)-dip-chloride(tm)

    14. Schembl4878768

    15. (-)-b-chlorodiisopino-campheylborane

    16. Akos025149316

    17. Zinc169999265

    18. Cs-w009420

    19. Bis[(1r,2s,3r,5r)-3-pinanyl]chloroborane

    20. F12961

    21. 116d376

    22. A905114

    23. Q-101080

    24. (-)-b-chlorodiisopinocamphenylborane (60% In N-heptane)

    25. (-)-dip-chloride(tm) Solution, 50-65 Wt. % In Heptane

    26. (-)-dip-chloride(tm) Solution, 50-65 Wt. % In Hexanes

    27. (-)-dip-chloride(tm) Solution, 65-75 Wt. % In Alpha-pinene

    28. Chlorobis[(1r,2s,3r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]borane

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 320.7 g/mol
    Molecular Formula C20H34BCl
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count2
    Exact Mass320.2442089 g/mol
    Monoisotopic Mass320.2442089 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity428
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1