Cas no 100404-06-6 (Benzene,[(methylphenyl)methyl](phenylmethyl)-)

Benzene,[(methylphenyl)methyl](phenylmethyl)- structure
100404-06-6 structure
Product Name:Benzene,[(methylphenyl)methyl](phenylmethyl)-
CAS No:100404-06-6
MF:C21H20
MW:272.383505821228
CID:207079
PubChem ID:15634633
Update Time:2025-04-19

Benzene,[(methylphenyl)methyl](phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,[(methylphenyl)methyl](phenylmethyl)-
    • [(methylphenyl)methyl](phenylmethyl)benzene
    • 1-benzyl-2-[(2-methylphenyl)methyl]benzene
    • 1-benzyl-2-(2-methylbenzyl)benzene
    • Benzene, ((methylphenyl)methyl)(phenylmethyl)-
    • NS00006345
    • 100404-06-6
    • Benzene, [(methylphenyl)methyl](phenylmethyl)-
    • Inchi: 1S/C21H20/c1-17-9-5-6-12-19(17)16-21-14-8-7-13-20(21)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
    • InChI Key: SMOZJCPUZPHHKQ-UHFFFAOYSA-N
    • SMILES: C1(=CC=CC=C1CC1C=CC=CC=1)CC1C=CC=CC=1C

Computed Properties

  • Exact Mass: 272.1566
  • Monoisotopic Mass: 272.156500638g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 288
  • 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: 6.1
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.03
  • Boiling Point: 399.205°C at 760 mmHg
  • Flash Point: 190.792°C
  • Refractive Index: 1.594
  • PSA: 0
  • LogP: 5.17660
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