Cas no 7476-06-4 (4,4'-(1,3-Propanediylbisoxy)bisbenzonitrile)

4,4'-(1,3-Propanediylbisoxy)bisbenzonitrile structure
7476-06-4 structure
Product Name:4,4'-(1,3-Propanediylbisoxy)bisbenzonitrile
CAS No:7476-06-4
MF:C17H14N2O2
MW:278.305263996124
CID:980260
PubChem ID:81991
Update Time:2025-04-19

4,4'-(1,3-Propanediylbisoxy)bisbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4,4'-(1,3-Propanediylbisoxy)bisbenzonitrile
    • 4,4'-[propane-1,3-diylbis(oxy)]dibenzonitrile; 4,4'-Propanediyldioxy-dibenzonitrile; AC1Q4RS6; AC1L32IO; 4,4'-Propandiyldioxy-di-benzonitril; NSC400550; 4,4'-trimethylenedioxydibenzonitrile; 4,4'-Trimethylenedioxydibenzonitrile; 1,3-Bis(4-cyanophenoxy)propane; SureCN7384498; 4,4'-propanediyldioxy-di-benzonitrile; 1.3-Bis-(4-cyan-phenoxy)-propan; AG-G-97518; 1,3-bis(4-cyanophenoxy)propane; CTK5E0465; T6197628;
    • NSC-400550
    • BENZONITRILE, 4,4'-(1,3-PROPANEDIYLBIS(OXY))BIS-
    • MFRPGHISIXEJAA-UHFFFAOYSA-N
    • 1,3-BIS(4-CYANOPHENOXY)PROPANE
    • NSC400550
    • NSC 400550
    • 4-[3-(4-cyanophenoxy)propoxy]benzonitrile
    • 7476-06-4
    • 88TX8ZNM3P
    • DTXSID90225740
    • 4,4'-Propanediyldioxy-dibenzonitrile
    • SCHEMBL7384498
    • 4,4'-Trimethylenedioxydibenzonitrile
    • AB01319082-02
    • Z335693360
    • EINECS 231-278-3
    • NS00046712
    • 4,4'-(1,3-PROPANEDIYLBIS(OXY))BIS(BENZONITRILE)
    • UNII-88TX8ZNM3P
    • AKOS009222439
    • NCGC00323571-01
    • 4,4-Trimethylenedioxydibenzonitrile
    • DS-005130
    • Inchi： 1S/C17H14N2O2/c18-12-14-2-6-16(7-3-14)20-10-1-11-21-17-8-4-15(13-19)5-9-17/h2-9H,1,10-11H2
    • InChI Key： MFRPGHISIXEJAA-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(C#N)=CC=1)CCCOC1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 278.10562
  • Monoisotopic Mass: 278.105528
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 352
  • 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: 66
  • XLogP3: 3.4

Experimental Properties

  • Density: 1.2
  • Boiling Point: 491.7°C at 760 mmHg
  • Flash Point: 196.4°C
  • Refractive Index: 1.589
  • PSA: 66.04

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