5-chloronaphthalene-1-sulfonyl chloride

• ChemBase ID: 91415
• Molecular Formular: C10H6Cl2O2S
• Molecular Mass: 261.12444
• Monoisotopic Mass: 259.94655579
• SMILES: Clc1cccc2c1cccc2S(=O)(=O)Cl
• Canonical SMILES: Clc1cccc2c1cccc2S(=O)(=O)Cl
• InChI: InChI=1S/C10H6Cl2O2S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H
• InChIKey: ZELWQFZGPMGHRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloronaphthalene-1-sulfonyl chloride
• IUPAC Traditional name: 5-chloronaphthalene-1-sulfonyl chloride
• Synonyms: 5-Chloronaphthalene-1-sulphonyl chloride; NSC 4618; 5-Chloronaphthalene-1-sulfonyl Chloride

Database IDs

• CAS Number: 6291-07-2
• MDL Number: MFCD00269949
• PubChem SID: 162078114
• PubChem CID: 221004

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: 25.740063 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; DMF; DMSO; Ethyl Acetate
• Apperance: Yellow Solid
• Melting Point: 94-95°C; 94-95°C

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: Irritant