Cas no 1504-16-1 (3-Phenylindole)

3-Phenylindole structure
3-Phenylindole structure
Product Name:3-Phenylindole
CAS No:1504-16-1
MF:C14H11N
MW:193.243843317032
MDL:MFCD00033474
CID:147795
PubChem ID:96502
Update Time:2025-09-28

3-Phenylindole Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole, 3-phenyl-
    • 3-phenyl-1H-indole
    • 3-phenylindole
    • 3-phenyl-1H-indol
    • 3-Phenyl-indol
    • 3-phenyl-indole
    • 3-Ph-indole
    • AC1L3WLI
    • AC1Q1HQX
    • CHEMBL394896
    • CTK0H5905
    • SureCN84056
    • NSC 76690
    • XZNGTBLWFCRXKR-UHFFFAOYSA-N
    • 7676CPK41G
    • 3-phenyl indole
    • 3-Phenyl-1H-indole #
    • NSC76690
    • AK482965
    • TL800742129
    • Y13578
    • CS-0186850
    • UNII-7676CPK41G
    • 1504-16-1
    • A901103
    • AKOS027427699
    • DTXSID80164538
    • SCHEMBL84056
    • MFCD00033474
    • BAA50416
    • NSC-76690
    • DS-18933
    • Q27266468
    • InChI=1/C14H11N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-10,15
    • AE-473/30364029
    • DB-241243
    • 3-Phenylindole
    • MDL: MFCD00033474
    • Inchi: 1S/C14H11N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-10,15H
    • InChI Key: XZNGTBLWFCRXKR-UHFFFAOYSA-N
    • SMILES: N1C=C(C2C=CC=CC=2)C2C=CC=CC1=2

Computed Properties

  • Exact Mass: 193.08923
  • Monoisotopic Mass: 193.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 207
  • 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
  • XLogP3: 3.9
  • Topological Polar Surface Area: 15.8

Experimental Properties

  • Density: 1.156±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 109 oC
  • Boiling Point: 394°C at 760 mmHg
  • Flash Point: 177.3°C
  • Refractive Index: 1.679
  • Solubility: Almost insoluble (0.081 g/l) (25 o C),
  • PSA: 15.79
  • LogP: 3.83490

3-Phenylindole Security Information

  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P280-P305+P351+P338
  • Storage Condition:Sealed in dry,Room Temperature

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