Cas no 74845-57-1 (Benz[a]anthracene,7,11,12-trimethyl-)

Benz[a]anthracene,7,11,12-trimethyl- structure
74845-57-1 structure
Product Name:Benz[a]anthracene,7,11,12-trimethyl-
CAS No:74845-57-1
MF:C21H18
MW:270.367625713348
CID:571728
PubChem ID:126500
Update Time:2025-04-19

Benz[a]anthracene,7,11,12-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benz[a]anthracene,7,11,12-trimethyl-
    • Benz(a)anthracene, 7,11,12-trimethyl-
    • 7,11,12-trimethylbenz(a)anthracene
    • 7,11,12-trimethylbenzo[a]anthracene
    • 74845-57-1
    • DTXSID80225815
    • 7,11,12-Tmba
    • Inchi: 1S/C21H18/c1-13-7-6-10-17-14(2)18-12-11-16-8-4-5-9-19(16)21(18)15(3)20(13)17/h4-12H,1-3H3
    • InChI Key: DVTFHVUXUPURTI-UHFFFAOYSA-N
    • SMILES: C12C3C=CC=CC=3C=CC1=C(C)C1C=CC=C(C)C=1C=2C

Computed Properties

  • Exact Mass: 270.14094
  • Monoisotopic Mass: 270.141
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 372
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.123
  • Boiling Point: 482.9°C at 760 mmHg
  • Flash Point: 240°C
  • Refractive Index: 1.712
  • PSA: 0
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