naphthalene-1,5-disulfonic acid

• ChemBase ID: 125930
• Molecular Formular: C10H8O6S2
• Molecular Mass: 288.29692
• Monoisotopic Mass: 287.97622998
• SMILES: O=S(=O)(O)c1cccc2c1cccc2S(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)O
• InChI: InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
• InChIKey: XTEGVFVZDVNBPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-1,5-disulfonic acid
• IUPAC Traditional name: 1,5-naphthalenedisulfonic acid
• Synonyms: Naphthalene-1,5-disulfonic acid; Armstrong's acid; Armstrong's acid; 1,5-Naphthalenedisulfonic acid

Database IDs

• CAS Number: 29685; 81-04-9
• MDL Number: MFCD00003996
• PubChem SID: 162220273
• PubChem CID: 6666
• CHEBI ID: 30890
• Chemspider ID: 6414
• Wikipedia Title: Armstrong's_acid

CALCULATED PROPERTIES

• Acid pKa: -2.7168899
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.4282577
• LogD (pH = 7.4): -3.4282615
• Log P: 1.324536
• Molar Refractivity: 63.7532 cm^3
• Polarizability: 27.085737 Å^3
• Polar Surface Area: 108.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Main Hazard: corrosive

Product Information

• Purity: 95+%; 97%