5-iodonaphthalene-1-sulfonyl chloride

• ChemBase ID: 171687
• Molecular Formular: C10H6ClIO2S
• Molecular Mass: 352.57591
• Monoisotopic Mass: 351.88217611
• SMILES: c1cc(c2c(c1)c(ccc2)S(=O)(=O)Cl)I
• Canonical SMILES: Ic1cccc2c1cccc2S(=O)(=O)Cl
• InChI: InChI=1S/C10H6ClIO2S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6H
• InChIKey: HPGIIEANQDDHGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodonaphthalene-1-sulfonyl chloride
• IUPAC Traditional name: 5-iodonaphthalene-1-sulfonyl chloride
• Synonyms: 5-Iodo-1-naphthalenesulfonyl Chloride; 5-Iodonaphthalene-1-sulfonylchloride

Database IDs

• CAS Number: 110448-35-6
• PubChem SID: 164227597
• PubChem CID: 2759366

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.83797
• LogD (pH = 7.4): 3.83797
• Log P: 3.83797
• Molar Refractivity: 70.0649 cm^3
• Polarizability: 28.998981 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; DMF; Ethyl Acetate
• Apperance: Orange to Red Solid
• Melting Point: 110-112°C

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - I714800

A synthetic intermediate