Cas no 6968-58-7 (7-(3-methylphenyl)benzo[a]anthracene)

7-(3-methylphenyl)benzo[a]anthracene structure
6968-58-7 structure
Product Name:7-(3-methylphenyl)benzo[a]anthracene
CAS No:6968-58-7
MF:C25H18
MW:318.410426616669
CID:1739126
PubChem ID:248233
Update Time:2025-04-21

7-(3-methylphenyl)benzo[a]anthracene Chemical and Physical Properties

Names and Identifiers

    • 7-(3-methylphenyl)benzo[a]anthracene
    • AR-1H2714
    • AC1Q1IWR
    • NSC64921
    • CTK5D0922
    • AC1L6LXZ
    • 7-M-TOLYLBENZ[A]ANTHRACENE
    • 7-(3-methylphenyl)tetraphene
    • 7-m-tolyl-benz[a]anthracene
    • AR-1H2714; AC1Q1IWR; NSC64921; CTK5D0922; AC1L6LXZ; 7-M-TOLYLBENZ[A]ANTHRACENE; 7-(3-methylphenyl)tetraphene; 7-m-tolyl-benz[a]anthracene;
    • NSC-64921
    • DTXSID20289850
    • 6968-58-7
    • Inchi: 1S/C25H18/c1-17-7-6-10-20(15-17)25-22-12-5-3-9-19(22)16-24-21-11-4-2-8-18(21)13-14-23(24)25/h2-16H,1H3
    • InChI Key: ICYWXVXKOPAIDA-UHFFFAOYSA-N
    • SMILES: C12C=CC3C=CC=CC=3C1=CC1C=CC=CC=1C=2C1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 318.14094
  • Monoisotopic Mass: 318.140851
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 1
  • Complexity: 453
  • 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: 7.6
  • Topological Polar Surface Area: 0

Experimental Properties

  • Density: 1.164
  • Boiling Point: 495.7°C at 760 mmHg
  • Flash Point: 249.9°C
  • Refractive Index: 1.73
  • PSA: 0
  • LogP: 7.12160
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