disodium 3-hydroxynaphthalene-2,7-disulfonate

• ChemBase ID: 152212
• Molecular Formular: C10H6Na2O7S2
• Molecular Mass: 348.25998
• Monoisotopic Mass: 347.93503309
• SMILES: c1cc(cc2c1cc(c(c2)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+]
• Canonical SMILES: Oc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
• InChIKey: VNEBWJSWMVTSHK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 3-hydroxynaphthalene-2,7-disulfonate
• IUPAC Traditional name: disodium 3-hydroxynaphthalene-2,7-disulfonate
• Synonyms: 2-Naphthol-3,6-disulfonic acid disodium salt; Disodium 3-hydroxy-2,7-naphthalenedisulfonate; R-Acid sodium salt; 3-Hydroxynaphthalene-2,7-disulfonic acid disodium salt; Sodium 3-hydroxynaphthalene-2,7-disulfonate; disodium 2-naphthol-3,6-disulfonate; 2-萘酚-3,6-二磺酸 二钠盐; 3-羟基-2,7-萘二磺酸二钠; R-酸 钠盐; 3-羟基-2,7-萘二磺酸 二钠盐

Database IDs

• CAS Number: 135-51-3
• EC Number: 205-196-3
• MDL Number: MFCD00065915
• Beilstein Number: 3643184
• PubChem SID: 24886100; 162246357
• PubChem CID: 8673

CALCULATED PROPERTIES

• Acid pKa: -2.8911011
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -3.081825
• LogD (pH = 7.4): -3.081867
• Log P: 1.6709707
• Molar Refractivity: 63.4907 cm^3
• Polarizability: 27.549335 Å^3
• Polar Surface Area: 134.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: QJ6477000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (HPLC); 95+%; 97%
• Grade: technical
• Loss on Drying: ≤2% loss on drying
• Empirical Formula (Hill Notation): C10H6Na2O7S2

DETAILS

Sigma Aldrich - 70530

Packaging
100, 500 g in poly bottle