Arsenazo I - AR , CAS No.66019-20-3

CAS: 66019-20-3 Cat. No.: A110709 Summenformel: C₁₆H₁₀AsN₂Na₃O₁₁S₂ Molekulargewicht: 614.28 EG-Nummer: 266-069-6

QUALITÄT & REINHEIT AR

Synonyms

ARSENAZO I 3-HYDRATE | Arsenazo I hydrate | sodium (E)-3-((2-(hydrogenarsonato)phenyl)diazenyl)-4,5-dihydroxynaphthalene-2,7-disulfonate | AKOS015902816 | D89681 | trisodium;4,5-dihydroxy-3-[[2-[hydroxy(oxido)arsoryl]phenyl]diazenyl]naphthalene-2,7-disulf

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Spezifikationen

Synonyme

ARSENAZO I 3-HYDRATE | Arsenazo I hydrate | sodium (E)-3-((2-(hydrogenarsonato)phenyl)diazenyl)-4,5-dihydroxynaphthalene-2,7-disulfonate | AKOS015902816 | D89681 | trisodium;4,5-dihydroxy-3-[[2-[hydroxy(oxido)arsoryl]phenyl]diazenyl]naphthalene-2,7-disulf

Spezifikationen & Reinheit

AR

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AR

Namen und Kennungen

Pubchem Sid

488192196

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192196

Kanonisches Lächeln

C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)[As](=O)(O)[O-].[Na+].[Na+].[Na+]

IUPAC Name

trisodium;4,5-dihydroxy-3-[[2-[hydroxy(oxido)arsoryl]phenyl]diazenyl]naphthalene-2,7-disulfonate

InChIKey

NBVFGAJJMPGDDH-UHFFFAOYSA-K

INCHI

1S/C16H13AsN2O11S2.3Na/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24;;;/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3

Isomere SMILES

C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)[As](=O)(O)[O-].[Na+].[Na+].[Na+]

UN-Nummer

3280

Molekulargewicht

614.28

Reaxy-Rn

5714331

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5714331&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Ebene5 Naphthalene sulfonates
          • Ebene6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Schmelzpunkt (°C): >300°C
• Molekulargewicht: 614.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 3
• Exact Mass: 613.864 Da
• Monoisotopic Mass: 613.864 Da
• Topological Polar Surface Area: 257.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 942.000
• 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: 4

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