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  • Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine

  • Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine

    Catalog Number
    ACM39001644-1
    Product Name
    Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine
    Structure
    CAS
    39001-64-4
    Category
    Phthalonitriles & Naphthalonitriles
    Synonyms
    4,4',4'',4'''-Tetra-tert-butylphthalocyanine Copper(II)
    2,9,16,23-Tetra-tert-butylphthalocyanine Copper(II)
    IUPAC Name
    copper;6,15,24,33-tetratert-butyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
    Molecular Weight
    800.51
    Molecular Formula
    C48H48CuN8
    SMILES
    CC(C)(C)C1=CC2=C(C=C1)C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)C(C)(C)C)C(=N7)N=C2[N-]3)C(C)(C)C)C9=C4C=C(C=C9)C(C)(C)C.[Cu+2]
    InChI
    InChI=1S/C48H48N8.Cu/c1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;/h13-24H,1-12H3;/q-2;+2
    InChIKey
    IDACJLJAKMQWEW-UHFFFAOYSA-N
    Melting Point
    480 °C
    Purity
    >97.0%(T)
    Appearance
    Dark red to Dark purple to Dark blue powder to crystal
    Storage
    Store under inert gas
    Status
    0
    Hazard Statements
    H413 : May cause long lasting harmful effects to aquatic life.
    Complexity
    1510
    Formal Charge
    0
    Exact Mass
    799.329791g/mol
    Monoisotopic Mass
    799.329791g/mol
    Refractive Index
    1.48
    Covalently-Bonded Unit Count
    2
    Heavy Atom Count
    57
    Rotatable Bond Count
    4
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