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  • 2,5-Dibromo-N-(2-ethylhexyl)-3,4-thiophenedicarboximide

  • 2,5-Dibromo-N-(2-ethylhexyl)-3,4-thiophenedicarboximide

    Catalog Number
    ACM1231160830-1
    CAS Number
    1231160-83-0
    Product Name
    2,5-Dibromo-N-(2-ethylhexyl)-3,4-thiophenedicarboximide
    Structure
    Category
    Small Molecule Semiconductor Building Blocks; Polymers; Semiconductor Blocks
    Synonyms
    1,3-Dibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
    IUPAC Name
    1,3-dibromo-5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione
    Molecular Weight
    423.16
    Molecular Formula
    C14H17Br2NO2S
    Canonical SMILES
    CCCCC(CC)CN1C(=O)C2=C(SC(=C2C1=O)Br)Br
    InChI
    InChI=1S/C14H17Br2NO2S/c1-3-5-6-8(4-2)7-17-13(18)9-10(14(17)19)12(16)20-11(9)15/h8H,3-7H2,1-2H3
    InChI Key
    AOZLCBYWDXFKCJ-UHFFFAOYSA-N
    Melting Point
    112 °C
    Purity
    >98.0%(GC)
    Appearance
    White to Yellow to Orange powder to crystal
    Complexity
    367
    Covalently-Bonded Unit Count
    1
    Exact Mass
    422.93263g/mol
    Formal Charge
    0
    Hazard Statements
    H413 : May cause long lasting harmful effects to aquatic life.
    Heavy Atom Count
    20
    MDL Number
    MFCD23703120
    Monoisotopic Mass
    420.93468g/mol
    Precautionary Statements
    P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
    Rotatable Bond Count
    6
    XLogP3
    5.8
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