2-chloronaphthalene-1-sulfonyl chloride

• ChemBase ID: 236283
• Molecular Formular: C10H6Cl2O2S
• Molecular Mass: 261.12444
• Monoisotopic Mass: 259.94655579
• SMILES: S(=O)(=O)(c1c2c(ccc1Cl)cccc2)Cl
• Canonical SMILES: Clc1ccc2c(c1S(=O)(=O)Cl)cccc2
• InChI: InChI=1S/C10H6Cl2O2S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H
• InChIKey: SPRZLGGRDIRMRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloronaphthalene-1-sulfonyl chloride
• IUPAC Traditional name: 2-chloronaphthalene-1-sulfonyl chloride
• Synonyms: 2-chloronaphthalene-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD22196559
• PubChem SID: 164292193
• PubChem CID: 22178787

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5130703
• LogD (pH = 7.4): 3.5130703
• Log P: 3.5130703
• Molar Refractivity: 61.5072 cm^3
• Polarizability: 25.76272 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67°C
• Hydrophobicity(logP): 2.057

Product Information

• Purity: 95%