Cas no 30498-35-2 (Benzene,dichloro(trifluoromethyl)-)

Benzene,dichloro(trifluoromethyl)- structure
30498-35-2 structure
Product Name:Benzene,dichloro(trifluoromethyl)-
CAS No:30498-35-2
MF:C35H15Cl10F15
MW:1074.99965310097
CID:306924
PubChem ID:35358
Update Time:2025-04-19

Benzene,dichloro(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,dichloro(trifluoromethyl)-
    • 1,2-dichloro-3-(trifluoromethyl)benzene
    • 30498-35-2
    • Benzene, dichloro(trifluoromethyl)-
    • Inchi: 1S/5C7H3Cl2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5;8-4-1-2-6(9)5(3-4)7(10,11)12;8-4-1-2-5(6(9)3-4)7(10,11)12;8-5-2-1-4(3-6(5)9)7(10,11)12;8-4-2-1-3-5(9)6(4)7(10,11)12/h5*1-3H
    • InChI Key: UEJHAEUIXSGCFG-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=C(C=1C(F)(F)F)Cl.ClC1C=CC(=CC=1C(F)(F)F)Cl.ClC1C=C(C=CC=1C(F)(F)F)Cl.ClC1C=C(C=C(C(F)(F)F)C=1)Cl.ClC1=C(C=CC(C(F)(F)F)=C1)Cl

Computed Properties

  • Exact Mass: 1069.78245
  • Monoisotopic Mass: 1069.781951
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 60
  • Rotatable Bond Count: 0
  • Complexity: 766
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0

Experimental Properties

  • Boiling Point: 163.2°C at 760 mmHg
  • Flash Point: 61.3°C
  • PSA: 0
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