4,6-dichloro-8-iodoquinoline

• ChemBase ID: 43798
• Molecular Formular: C9H4Cl2IN
• Molecular Mass: 323.94523
• Monoisotopic Mass: 322.87655249
• SMILES: c12c(c(cc(c1)Cl)I)nccc2Cl
• Canonical SMILES: Clc1cc(I)c2c(c1)c(Cl)ccn2
• InChI: InChI=1S/C9H4Cl2IN/c10-5-3-6-7(11)1-2-13-9(6)8(12)4-5/h1-4H
• InChIKey: FKOSDCAERUFQBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-8-iodoquinoline
• IUPAC Traditional name: 4,6-dichloro-8-iodoquinoline
• Synonyms: 4,6-Dichloro-8-iodoquinoline

Database IDs

• MDL Number: MFCD12498702
• PubChem SID: 162048561
• PubChem CID: 45588291

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.267909
• LogD (pH = 7.4): 4.267934
• Log P: 4.2679343
• Molar Refractivity: 62.9514 cm^3
• Polarizability: 25.851595 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136 °C; 134-136°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%