naphthalene-1,5-disulfonic acid tetrahydrate

• ChemBase ID: 89819
• Molecular Formular: C10H16O10S2
• Molecular Mass: 360.35804
• Monoisotopic Mass: 360.01848871
• SMILES: S(=O)(=O)(c1cccc2c(cccc12)S(=O)(=O)O)O.O.O.O.O
• Canonical SMILES: OS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)O.O.O.O.O
• InChI: InChI=1S/C10H8O6S2.4H2O/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);4*1H2
• InChIKey: ZLBLYGIIADHDKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-1,5-disulfonic acid tetrahydrate
• IUPAC Traditional name: 1,5-naphthalenedisulfonic acid tetrahydrate
• Synonyms: 1,5-Naphthalenedisulfonic acid tetrahydrate; Armstrong’s acid; 1,5-Disulphonaphthalene tetrahydrate; Armstrong's acid tetrahydrate; Naphthalene-1,5-disulphonic acid tetrahydrate; 1,5-Naphthalenedisulfonic acid tetrahydrate; Armstrong 酸; 1,5-萘二磺酸 四水合物

Database IDs

• CAS Number: 211366-30-2
• EC Number: 201-317-9
• MDL Number: MFCD00149265
• PubChem SID: 162076675; 24856706
• PubChem CID: 53249422

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

• Storage Warning: Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2585
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2585 8/PG 3

Product Information

• Purity: 97%
• Linear Formula: C10H6(SO3H)2·4H2O

DETAILS

Sigma Aldrich - 276375

Packaging
5, 100, 500 g in glass bottle