9,10-Dimethoxyanthracene-2-sulfonic Acid Sodium Salt - ≥98% , CAS No.67580-39-6

CAS: 67580-39-6 Cat. No.: S304347 Molecular Weight: 340.32 EC Number: 266-720-4 PubChem CID: 4145994

GRADE & PURITY ≥98%

Synonyms

AKOS015902427 | CBGQZXMEEWCJQD-UHFFFAOYSA-M | T71211 | 9,10-Dimethoxy-2-anthracenesulfonic acid sodium salt, for fluorescence, >=96.0% (HPLC) | FT-0767348 | sodium;9,10-dimethoxyanthracene-2-sulfonate | DTXSID90986940 | SCHEMBL2858129 | BCP32484 | Sodium

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AKOS015902427 | CBGQZXMEEWCJQD-UHFFFAOYSA-M | T71211 | 9, 10-Dimethoxy-2-anthracenesulfonic acid sodium salt, for fluorescence, >=96.0% (HPLC) | FT-0767348 | sodium;9, 10-dimethoxyanthracene-2-sulfonate | DTXSID90986940 | SCHEMBL2858129 | BCP32484 | Sodium

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194718
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194718
• Canonical Smiles: COC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OC)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;9,10-dimethoxyanthracene-2-sulfonate
• InChIKey: CBGQZXMEEWCJQD-UHFFFAOYSA-M
• INCHI: 1S/C16H14O5S.Na/c1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;/h3-9H,1-2H3,(H,17,18,19);/q;+1/p-1
• Isomeric SMILES: COC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OC)S(=O)(=O)[O-].[Na+]
• PubChem CID: 4145994
• Molecular Weight: 340.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 1-sulfo,2-unsubstituted aromatic compounds Anisoles Alkyl aryl ethers Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - 2-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Ether - Organic oxygen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Molecular Weight: 340.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 340.038 Da
• Monoisotopic Mass: 340.038 Da
• Topological Polar Surface Area: 84.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 491.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3