disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate

• ChemBase ID: 107986
• Molecular Formular: C10H10Na2O10S2
• Molecular Mass: 400.28994
• Monoisotopic Mass: 399.95107708
• SMILES: O.O.[Na+].[Na+].Oc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Oc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].O.O.[Na+].[Na+]
• InChI: InChI=1S/C10H8O8S2.2Na.2H2O/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;;2*1H2/q;2*+1;;/p-2
• InChIKey: QUEAKWJKJBFNEG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate
• IUPAC Traditional name: dipotassium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate; disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate
• Synonyms: 4,5-Dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, ACS; Chromotropic acid disodium salt dihydrate; 4,5-Dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate; 4,5-DIHYDROXYNAPHTHALENE-2,7-DISULFONIC ACID DISODIUM SALT; 1,8-Dihydroxynaphthalene-3,6-disulfonic acid disodium salt; CHROMOTROPIC ACID SODIUM SALT, REAGENT GRADE; Chromotropic acid disodium salt dihydrate; 4,5-二羟基萘-2,7-二磺酸二钠盐 二水合物,ACS; 4,5-二羟基萘-2,7-二磺酸二钠盐 二水合物; 1,8-二羟基萘-3,6-二磺酸 二钠盐; 4,5-二羟基萘-2,7-二磺酸 二钠盐; 变色酸 二钠盐 二水合物

Database IDs

• CAS Number: 5808-22-0
• EC Number: 204-972-9
• MDL Number: MFCD00150612
• Beilstein Number: 3647189
• Merck Index: 142241
• PubChem SID: 24893926; 162093556; 24856441; 24852676
• PubChem CID: 2723846

CALCULATED PROPERTIES

• Acid pKa: -2.9548192
• H Acceptors: 8
• H Donor: 2
• LogD (pH = 5.5): -4.0373173
• LogD (pH = 7.4): -4.169243
• Log P: 0.7174054
• Molar Refractivity: 65.4716 cm^3
• Polarizability: 28.228378 Å^3
• Polar Surface Area: 154.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: off-white; Off-White to Buff-Colored Powder
• Melting Point: >300 °C(lit.); >300°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥80% (T); ≥98.5%; ≥99.0% (T); 98%
• Grade: ACS reagent; JIS special grade; puriss. p.a.; REAGENT; technical; technical grade
• Impurities: 8-10% water
• Quality: for the detection of Ag, ClO3-, Cr, Hg, NO2-, NO32-, Ti
• Linear Formula: (HO)2C10H4(SO3Na)2·2H2O

DETAILS

MP Biomedicals - 05205680

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 213276

Packaging
10 g in poly bottle

Sigma Aldrich - 126225

Packaging
100, 500 g in poly bottle