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Weight258.104 g/mol
FormulaC11H9Cl2NO2
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds2

BARBAN (101-27-9)

Carbyne

Score: #705 in Physics , #2067 in Chemistry
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Areas of Application

Safety

  • H302: Harmful if swallowed
    Warning Acute toxicity, oral - Category 4
  • H400: Very toxic to aquatic life
    Warning Hazardous to the aquatic environment, acute hazard - Category 1
  • H410: Very toxic to aquatic life with long lasting effects
    Warning Hazardous to the aquatic environment, long-term hazard - Category 1

Trends

Alternate Names

  • Carbyne
  • SMILES
    C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl
  • InChIKey
    MCOQHIWZJUDQIC-UHFFFAOYSA-N

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Synthesis

(3-chlorophenyl)carbamic Acid  +  1,4-DICHLORO-2-BUTYNE (Ester from carboxilic acid(SN2))
Reactant  +  3-CHLOROANILINE (Schotten-Baumann amide from acid)
Reactant  +  Propargyl chloride (Sonogashira)
Synthesis of BARBAN ›

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