Arsenazo III - metal indicator , CAS No.1668-00-4

CAS: 1668-00-4 Cat. No.: A477485 Fórmula: C₂₂H₁₈(As₂)N₄O₁₄S₂ Peso molecular: 776.37 Beilstein Registry Number: 5717957 Número EC: 216-788-6

GRADE & PURITY Metal indicator

Synonyms

Arsenazo III free acid | EINECS 216-788-6 | starbld0016539 | A882299 | ANTINEOPLASTIC-91528 | BSPBio_000025 | LP00218 | AI3-52542 | Arsenazo III sodium salt | ARSENAZO III, FREE ACID | 3,6-bis[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfo

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Arsenazo III free acid | EINECS 216-788-6 | starbld0016539 | A882299 | ANTINEOPLASTIC-91528 | BSPBio_000025 | LP00218 | AI3-52542 | Arsenazo III sodium salt | ARSENAZO III, FREE ACID | 3,6-bis[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfo

Especificaciones y pureza

metal indicator

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Grado

Metal indicator

Nombres e identificadores

Pubchem Sid

528763327

Sonrisas canónicas

C1=CC=C(C(=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=CC=C4[As](=O)(O)O)O)O)[As](=O)(O)O

IUPAC Name

3,6-bis[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid

InChIKey

UQHVTNUJRKELCE-UHFFFAOYSA-N

INCHI

1S/C22H18As2N4O14S2/c29-21-18-11(9-16(43(37,38)39)19(21)27-25-14-7-3-1-5-12(14)23(31,32)33)10-17(44(40,41)42)20(22(18)30)28-26-15-8-4-2-6-13(15)24(34,35)36/h1-10,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)

Isómeros SMILES

C1=CC=C(C(=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=CC=C4[As](=O)(O)O)O)O)[As](=O)(O)O

WGK Alemania

3

Número ONU

3465

Grupo de embalaje

III

Peso molecular

776.37

Beilstein

5717957

Reaxy-Rn

1899806

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1899806&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 Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds 1-hydroxy-4-unsubstituted benzenoids Pentaorganoarsanes Benzene and substituted derivatives Sulfonyls Organosulfonic acids Azo compounds Sulfur-containing organoarsenic compounds Propargyl-type 1,3-dipolar organic compounds Oxygen-containing organoarsenic compounds Organic metalloid salts Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-naphthol - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - Pentaorganoarsane - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Oxygen-containing organoarsenic compound - Sulfur-containing organoarsenic compound - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoarsenic compound - 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: Very slightly soluble in water；Insoluble in ether, ethanol and acetone.
• Sensibilidad: Light sensitive
• Punto de fusión (°C): >320 °C
• Peso molecular: 776.400 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 775.869 Da
• Monoisotopic Mass: 775.869 Da
• Topological Polar Surface Area: 330.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1300.000
• 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: 1

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