Cas no 189371-41-3 (Pyrene, 1-bromo-7-(1,1-dimethylethyl)-3-methyl-)

Pyrene, 1-bromo-7-(1,1-dimethylethyl)-3-methyl- structure
189371-41-3 structure
Product Name:Pyrene, 1-bromo-7-(1,1-dimethylethyl)-3-methyl-
CAS No:189371-41-3
MF:C21H19Br
MW:351.279565095901
CID:1382962
Update Time:2024-08-14

Pyrene, 1-bromo-7-(1,1-dimethylethyl)-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Pyrene, 1-bromo-7-(1,1-dimethylethyl)-3-methyl-
    • Inchi: 1S/C21H19Br/c1-12-9-18(22)17-8-6-14-11-15(21(2,3)4)10-13-5-7-16(12)20(17)19(13)14/h5-11H,1-4H3
    • InChI Key: RGDOZYQKIVMVLZ-UHFFFAOYSA-N
    • SMILES: C1(Br)=C2C3=C4C(C=C2)=CC(C(C)(C)C)=CC4=CC=C3C(C)=C1

Computed Properties

  • Exact Mass: 350.06707

Experimental Properties

  • Density: 1.345±0.06 g/cm3(Predicted)
  • Melting Point: 256-258 °C(Solv: hexane (110-54-3); benzene (71-43-2))
  • Boiling Point: 466.2±14.0 °C(Predicted)
  • PSA: 0
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