Cas no 618-38-2 (benzoyl iodide)

benzoyl iodide structure
benzoyl iodide structure
Product Name:benzoyl iodide
CAS No:618-38-2
MF:C7H5IO
MW:232.018474340439
CID:864080
PubChem ID:136424
Update Time:2025-04-19

benzoyl iodide Chemical and Physical Properties

Names and Identifiers

    • benzoyl iodide
    • Inchi: 1S/C7H5IO/c8-7(9)6-4-2-1-3-5-6/h1-5H
    • InChI Key: WPCXDBCEDWUSOU-UHFFFAOYSA-N
    • SMILES: IC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 231.93900
  • Monoisotopic Mass: 231.938508
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 106
  • 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: 2.5
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Density: 1.7460
  • Melting Point: 1.5°C
  • Boiling Point: 265°C (rough estimate)
  • Flash Point: 93.2°C
  • Refractive Index: 1.643
  • PSA: 17.07000
  • LogP: 2.26180
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