Cas no 87848-96-2 (2-Bromo-6-(2-(p-tolyl)-1,3-dioxolan-2-yl)pyridine)

2-Bromo-6-(2-(p-tolyl)-1,3-dioxolan-2-yl)pyridine structure
87848-96-2 structure
Product Name:2-Bromo-6-(2-(p-tolyl)-1,3-dioxolan-2-yl)pyridine
CAS No:87848-96-2
MF:C15H14BrNO2
MW:320.181163311005
CID:731609
Update Time:2024-01-31

2-Bromo-6-(2-(p-tolyl)-1,3-dioxolan-2-yl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-6-(2-(p-tolyl)-1,3-dioxolan-2-yl)pyridine
    • 2-bromo-6-[2-(4-methylphenyl)-1,3-dioxolan-2-yl]pyridine
    • 2-bromo-6-[2-(p-tolyl)-1,3-dioxolan-2-yl]pyridine
    • Einecs 289-351-0
    • Inchi: 1S/C15H14BrNO2/c1-11-5-7-12(8-6-11)15(18-9-10-19-15)13-3-2-4-14(16)17-13/h2-8H,9-10H2,1H3
    • InChI Key: WVNVMLQIFKCIQC-UHFFFAOYSA-N
    • SMILES: C1(Br)=NC(C2(C3=CC=C(C)C=C3)OCCO2)=CC=C1

Computed Properties

  • Exact Mass: 319.020791
  • Monoisotopic Mass: 319.020791
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 299
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 31.4

Experimental Properties

  • Density: 1.434
  • Boiling Point: 426.887°C at 760 mmHg
  • Flash Point: 211.974°C
  • Refractive Index: 1.601
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