Cas no 103675-62-3 (5-iodo-2-methyl-benzenesulfonic acid)

5-iodo-2-methyl-benzenesulfonic acid structure
103675-62-3 structure
Product Name:5-iodo-2-methyl-benzenesulfonic acid
CAS No:103675-62-3
MF:C7H7IO3S
MW:298.098153352737
CID:1138312
PubChem ID:13444851
Update Time:2025-04-20

5-iodo-2-methyl-benzenesulfonic acid Chemical and Physical Properties

Names and Identifiers

    • 5-iodo-2-methyl-benzenesulfonic acid
    • 5-Iodo-2-methylbenzenesulfonic acid
    • benzenesulfonic acid, 5-iodo-2-methyl-
    • LogP
    • 4-iodo-toluene-2-sulfonic acid
    • SCHEMBL12993995
    • 103675-62-3
    • DTXSID101292889
    • Inchi: 1S/C7H7IO3S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3,(H,9,10,11)
    • InChI Key: RRSGTKUYEPAIAH-UHFFFAOYSA-N
    • SMILES: IC1C=CC(C)=C(C=1)S(=O)(=O)O

Computed Properties

  • Exact Mass: 297.91561
  • Monoisotopic Mass: 297.91606g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 244
  • 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: 1.7
  • Topological Polar Surface Area: 62.8?2

Experimental Properties

  • PSA: 54.37

5-iodo-2-methyl-benzenesulfonic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid
Reference
Studies on the sulfonation of o-iodotoluene
Muramoto, Yoshihiro; et al, Kinki Daigaku Kogakubu Kenkyu Hokoku, 1985, 19, 27-32

5-iodo-2-methyl-benzenesulfonic acid Raw materials

5-iodo-2-methyl-benzenesulfonic acid Preparation Products

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