Cas no 123413-30-9 (Benzene, 2,4-dimethyl-1-(trichloromethyl)-)

Benzene, 2,4-dimethyl-1-(trichloromethyl)- structure
123413-30-9 structure
Product Name:Benzene, 2,4-dimethyl-1-(trichloromethyl)-
CAS No:123413-30-9
MF:C9H9Cl3
MW:223.5267598629
CID:1218276
PubChem ID:14290474
Update Time:2025-04-20

Benzene, 2,4-dimethyl-1-(trichloromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2,4-dimethyl-1-(trichloromethyl)-
    • 2,4-dimethyl-1-(trichloromethyl)benzene
    • 2,4-dimethylbenzotrichloride
    • Benzene,2,4-dimethyl-1-(trichloromethyl)
    • DTXSID40558510
    • 123413-30-9
    • Inchi： 1S/C9H9Cl3/c1-6-3-4-8(7(2)5-6)9(10,11)12/h3-5H,1-2H3
    • InChI Key： PLXYUWIGQSPQDQ-UHFFFAOYSA-N
    • SMILES： ClC(C1C=CC(C)=CC=1C)(Cl)Cl

Computed Properties

  • Exact Mass: 221.97700
  • Monoisotopic Mass: 221.976983g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 150
  • 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: 4.3
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0.00000
  • LogP: 4.13010

Benzene, 2,4-dimethyl-1-(trichloromethyl)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Iodogen Catalysts: Azobisisobutyronitrile Solvents: Carbon tetrachloride ;  2 h, 81 °C
Reference
Improved Halogenation of Methyl Aromatics and Methyl Heteroaromatics: Unexpected Reactivity of Tetrahalogeno-diphenylglycolurils
Moretti, Florian; et al, Heteroatom Chemistry, 2016, 27(3), 173-183

Benzene, 2,4-dimethyl-1-(trichloromethyl)- Preparation Products

Benzene, 2,4-dimethyl-1-(trichloromethyl)- Related Literature

123413-30-9 (Benzene, 2,4-dimethyl-1-(trichloromethyl)-) Related Products

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