Arsenazo I Hydrate - ≥90% , CAS No.3547-38-4

CAS: 3547-38-4 Cat. No.: N113411 Peso molecular: 592.29648(as Anhydrous) Beilstein Registry Number: 4111439 Número EC: 222-600-3

GRADE & PURITY ≥90%

Synonyms

Neothorin | 3-[2-(2-Arsonophenyl)diazenyl]-4,5-dihydroxy-2,7-naphthalenedisulfonic acid sodium salt (1:2) | ARSENAZO I DISODIUM SALT | disodium;3-[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate | 2,7-Naphthalenedisulfonic acid, 3-[(2-a

Storage

Protected from light,Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Neothorin | 3-[2-(2-Arsonophenyl)diazenyl]-4, 5-dihydroxy-2, 7-naphthalenedisulfonic acid sodium salt (1:2) | ARSENAZO I DISODIUM SALT | disodium;3-[(2-arsonophenyl)diazenyl]-4, 5-dihydroxynaphthalene-2, 7-disulfonate | 2, 7-Naphthalenedisulfonic acid, 3-[(2-a

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Protected from light, Desiccated, Room temperature

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 488203002
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488203002
• Sonrisas canónicas: 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+]
• IUPAC Name: disodium;3-[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate
• InChIKey: XRURKGOGGBIGRV-UHFFFAOYSA-L
• INCHI: 1S/C16H13AsN2O11S2.2Na/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;2*+1/p-2
• Isómeros 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+]
• WGK Alemania: 3
• Número ONU: 3465
• Peso molecular: 592.29648(as Anhydrous)
• Beilstein: 4111439
• Reaxy-Rn: 4111439
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4111439&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Light sensitive.
• Punto de fusión (°C): ≥300°C
• Peso molecular: 592.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 3
• Exact Mass: 591.882 Da
• Monoisotopic Mass: 591.882 Da
• Topological Polar Surface Area: 254.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 944.000
• 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

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