naphthalene-2,6-disulfonyl dichloride

• ChemBase ID: 15986
• Molecular Formular: C10H6Cl2O4S2
• Molecular Mass: 325.18824
• Monoisotopic Mass: 323.90845603
• SMILES: c1c(ccc2cc(ccc12)S(=O)(=O)Cl)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc2c(c1)ccc(c2)S(=O)(=O)Cl
• InChI: InChI=1S/C10H6Cl2O4S2/c11-17(13,14)9-3-1-7-5-10(18(12,15)16)4-2-8(7)6-9/h1-6H
• InChIKey: VPLHHUICIOEESV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2,6-disulfonyl dichloride
• IUPAC Traditional name: naphthalene-2,6-disulfonyl dichloride
• Synonyms: 2,6-Naphthalenedisulfonyl chloride; naphthalene-2,6-disulphonyl dichloride

Database IDs

• CAS Number: 13827-62-8
• MDL Number: MFCD00085805
• PubChem SID: 160979293
• PubChem CID: 581160

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8553286
• LogD (pH = 7.4): 2.8553286
• Log P: 2.8553286
• Molar Refractivity: 70.8966 cm^3
• Polarizability: 29.977322 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%