Cas no 34346-96-8 (Benz[a]anthracene,7-(bromomethyl)-1-methyl-)

Benz[a]anthracene,7-(bromomethyl)-1-methyl- structure
34346-96-8 structure
Product Name:Benz[a]anthracene,7-(bromomethyl)-1-methyl-
CAS No:34346-96-8
MF:C20H15Br
MW:335.237104654312
CID:311061
PubChem ID:93170
Update Time:2025-04-19

Benz[a]anthracene,7-(bromomethyl)-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benz[a]anthracene,7-(bromomethyl)-1-methyl-
    • 7-(Bromomethyl)-1-methyltetraphene
    • DTXSID70187918
    • 7-Bromomethyl-1-methylbenz(a)anthracene
    • 1-Methyl-7-bromomethylbenz(a)anthracene
    • Benz(a)anthracene, 7-bromomethyl-1-methyl-
    • 34346-96-8
    • Inchi: 1S/C20H15Br/c1-13-5-4-7-14-9-10-17-18(20(13)14)11-15-6-2-3-8-16(15)19(17)12-21/h2-11H,12H2,1H3
    • InChI Key: JRCVXUWGSHXBBH-UHFFFAOYSA-N
    • SMILES: BrCC1C2C=CC=CC=2C=C2C3C(C)=CC=CC=3C=CC2=1

Computed Properties

  • Exact Mass: 334.03575
  • Monoisotopic Mass: 334.036
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 365
  • 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: 6.6
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.3419 (rough estimate)
  • Boiling Point: 391.41°C (rough estimate)
  • Flash Point: 258.5°C
  • Refractive Index: 1.6000 (estimate)
  • PSA: 0

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