2-chloroquinoline-6-sulfonyl chloride

• ChemBase ID: 164585
• Molecular Formular: C9H5Cl2NO2S
• Molecular Mass: 262.1125
• Monoisotopic Mass: 260.94180477
• SMILES: c1c(ccc2c1ccc(n2)Cl)S(=O)(=O)Cl
• Canonical SMILES: Clc1ccc2c(n1)ccc(c2)S(=O)(=O)Cl
• InChI: InChI=1S/C9H5Cl2NO2S/c10-9-4-1-6-5-7(15(11,13)14)2-3-8(6)12-9/h1-5H
• InChIKey: OBSXSFGTHBBROC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroquinoline-6-sulfonyl chloride
• IUPAC Traditional name: 2-chloroquinoline-6-sulfonyl chloride
• Synonyms: 2-Chloro-6-quinolinesulfonyl Chloride; 2-Chloroquinoline-6-sulfonyl Chloride

Database IDs

• CAS Number: 205055-71-6
• MDL Number: MFCD09040791
• PubChem SID: 162258720
• PubChem CID: 16227939

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9014244
• LogD (pH = 7.4): 2.9014254
• Log P: 2.9014254
• Molar Refractivity: 60.0396 cm^3
• Polarizability: 24.936052 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Beige Solid
• Melting Point: 137-140°C; 138 - 140°C
• Hydrophobicity(logP): 0.854

Safety Information

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

Product Information

• Purity: 95%