Anthraquinone-1,5-disulfonic acid disodium salt hydrate

Base Information

• Chemical Name: Anthraquinone-1,5-disulfonic acid disodium salt hydrate
• CAS No.: 206659-04-3
• Molecular Formula: C14H6Na2O8S2
• Molecular Weight: 412.3
• European Community (EC) Number: 627-496-7
• DSSTox Substance ID: DTXSID10585075
• Mol file: 206659-04-3.mol

Synonyms:206659-04-3;Anthraquinone-1,5-disulfonic acid disodium salt hydrate;disodium;9,10-dioxoanthracene-1,5-disulfonate;hydrate;DTXSID10585075;YOAIDOXEITXQEU-UHFFFAOYSA-L;ANTHRAQUINONE-1 5-DISULFONIC ACID;Anthraquinone-1,5-disulfonic acid, disodium salt hydrate;Sodium 9,10-dioxo-9,10-dihydroanthracene-1,5-disulfonate--water (2/1/1)

Chemical Property of Anthraquinone-1,5-disulfonic acid disodium salt hydrate

Chemical Property:

• Melting Point: >300 °C(lit.)
• PSA: 174.53000
• LogP: 2.36750
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 429.94051274
• Heavy Atom Count: 27
• Complexity: 665

Purity/Quality:

99% ^*data from raw suppliers

ANTHRAQUINONE-1,5-DISULFONIC ACID DISODIUM SALT HYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-].O.[Na+].[Na+]