Thorin - ≥90% , CAS No.3688-92-4

CAS: 3688-92-4 Cat. No.: T104944 分子式: C₁₆H₁₁AsN₂Na₂O₁₀S₂ 分子量: 576.30 Beilstein Registry Number: 2957648 EC番号: 222-993-1 PubChem CID: 77269

GRADE & PURITY ≥90%

Synonyms

APANS | NSC-148365 | 4-tert-butyl-aniline | AKOS015903215 | Aspan | Barbituric acid, 1,3-dimethyl- | Methyl pentafluorobenzene | sodium (E)-4-((2-arsonophenyl)diazenyl)-3-hydroxynaphthalene-2,7-disulfonate | MFCD00003888 | 1-(2-Arsonophenylazo)-2-naphthol

Storage

Room temperature,Argon charged

Shipped In

Normal

概要

Reagent for the determination of thorium. Indicator used in the titrimetric determination of organic sulfur compounds and sulfate with Ba(ClO4)2.
Reagent for the determination of thorium. Indicator used in the titrimetric determination of organic sulfur compounds and sulfate with Ba(ClO4)2.

Specifications

同義語

APANS | NSC-148365 | 4-tert-butyl-aniline | AKOS015903215 | Aspan | Barbituric acid, 1,3-dimethyl- | Methyl pentafluorobenzene | sodium (E)-4-((2-arsonophenyl)diazenyl)-3-hydroxynaphthalene-2,7-disulfonate | MFCD00003888 | 1-(2-Arsonophenylazo)-2-naphthol

仕様と純度

≥90%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥90%

名前と識別子

• パブケム・シド: 504755162
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504755162
• カノニカル・スマイル: C1=CC=C(C(=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+]
• IUPAC Name: disodium;4-[(2-arsonophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate
• InChIKey: DCSRPHQBFSYJNN-UHFFFAOYSA-L
• INCHI: 1S/C16H13AsN2O10S2.2Na/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23;;/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
• 異性体SMILES: C1=CC=C(C(=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+]
• PubChem CID: 77269
• UN番号: 1557
• 分子量: 576.30
• Beilstein: 2957648

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Pentaorganoarsanes Sulfonyls Organosulfonic acids Azo compounds Sulfur-containing organoarsenic compounds Propargyl-type 1,3-dipolar organic compounds Oxygen-containing organoarsenic compounds Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenoxide - Monocyclic benzene moiety - Pentaorganoarsane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Oxygen-containing organoarsenic compound - Sulfur-containing organoarsenic compound - Organic alkali metal salt - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic sodium salt - Organic salt - Organic metalloid moeity - Organoarsenic compound - Organic cation - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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

化学的性質と物理的性質

• 溶解度: Soluble in water.
• 感度: moisture sensitive
• 融点（°C）: >300℃
• 分子量: 576.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 575.887 Da
• Monoisotopic Mass: 575.887 Da
• Topological Polar Surface Area: 234.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 912.000
• 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: 3

XLogP3

よくある質問

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3688-92-4, the molecular formula is C16H11AsN2Na2O10S2, and the molecular weight is 576.30 g/mol. InChIKey DCSRPHQBFSYJNN-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.