Cas no 24003-11-0 (Phenol,2,4,6-trichloro-, 1-benzoate)

Phenol,2,4,6-trichloro-, 1-benzoate structure
24003-11-0 structure
Product Name:Phenol,2,4,6-trichloro-, 1-benzoate
CAS No:24003-11-0
MF:C13H7Cl3O2
MW:301.55248093605
CID:268723
PubChem ID:253603
Update Time:2025-04-19

Phenol,2,4,6-trichloro-, 1-benzoate Chemical and Physical Properties

Names and Identifiers

    • Phenol,2,4,6-trichloro-, 1-benzoate
    • (2,4,6-trichlorophenyl) benzoate
    • (2.4.6-Trichlor-phenyl)-benzoat
    • 2,4,6-trichlorophenyl benzoate
    • Benzoesaeure-(2,4,6-trichlor-phenylester)
    • benzoic acid-(2,4,6-trichloro-phenyl ester)
    • SCHEMBL8209293
    • DTXSID00291597
    • NSC-76713
    • 24003-11-0
    • NCIOpen2_008592
    • NSC76713
    • Inchi: 1S/C13H7Cl3O2/c14-9-6-10(15)12(11(16)7-9)18-13(17)8-4-2-1-3-5-8/h1-7H
    • InChI Key: RHEZJKZNYHZXMR-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=C(C=1OC(C1C=CC=CC=1)=O)Cl)Cl

Computed Properties

  • Exact Mass: 299.95100
  • Monoisotopic Mass: 299.951
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 280
  • 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: 5.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.444
  • Boiling Point: 450.4°Cat760mmHg
  • Flash Point: 189.8°C
  • Refractive Index: 1.612
  • PSA: 26.30000
  • LogP: 4.86600

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