5,8-dichloronaphthalene-2-sulfonyl chloride

• ChemBase ID: 235720
• Molecular Formular: C10H5Cl3O2S
• Molecular Mass: 295.5695
• Monoisotopic Mass: 293.90758344
• SMILES: S(=O)(=O)(c1cc2c(cc1)c(ccc2Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(c2c1cc(cc2)S(=O)(=O)Cl)Cl
• InChI: InChI=1S/C10H5Cl3O2S/c11-9-3-4-10(12)8-5-6(16(13,14)15)1-2-7(8)9/h1-5H
• InChIKey: UAMIPNMECXFCCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dichloronaphthalene-2-sulfonyl chloride
• IUPAC Traditional name: 5,8-dichloronaphthalene-2-sulfonyl chloride
• Synonyms: 5,8-dichloronaphthalene-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD22196438
• PubChem SID: 164291630
• PubChem CID: 54343272

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.117115
• LogD (pH = 7.4): 4.117115
• Log P: 4.117115
• Molar Refractivity: 66.312 cm^3
• Polarizability: 27.659813 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 2.77

Product Information

• Purity: 95%