Sodium 4-Aminophenylarsonate - ≥98% , CAS No.127-85-5

CAS: 127-85-5 Cat. No.: A302325 Fórmula: C₆H₇AsNNaO₃ Peso molecular: 239.04 Número EC: 204-869-9

GRADE & PURITY ≥98%

Synonyms

SODIUM ARSANILATE | Atoxyl | 4-Aminobenzenearsonic Acid Sodium Salt | p-Arsanilic Acid Sodium Salt | Sodium Hydrogen 4-Aminophenylarsonate

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

SODIUM ARSANILATE | Atoxyl | 4-Aminobenzenearsonic Acid Sodium Salt | p-Arsanilic Acid Sodium Salt | Sodium Hydrogen 4-Aminophenylarsonate

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=CC=C1N)[As](=O)(O)[O-].[Na+]

IUPAC Name

sodium;(4-aminophenyl)-hydroxyarsinate

InChIKey

OUFRIWNNMFWZTM-UHFFFAOYSA-M

INCHI

1S/C6H8AsNO3.Na/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H,8H2,(H2,9,10,11);/q;+1/p-1

Isómeros SMILES

C1=CC(=CC=C1N)[As](=O)(O)[O-].[Na+]

Número ONU

2473

Grupo de embalaje

III

Peso molecular

239.04

Reaxy-Rn

5789398

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5789398&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Pentaorganoarsanes Oxygen-containing organoarsenic compounds Organic metalloid salts Primary amines Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Pentaorganoarsane - Organic metalloid salt - Organic alkali metal salt - Oxygen-containing organoarsenic compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic sodium salt - Organic nitrogen compound - Organic salt - Organic zwitterion - Primary amine - Organonitrogen compound - Organoarsenic compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: organic sodium salt - organoarsonic acid salt

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water; Slightly soluble in Alcohol; Very slightly soluble in Ether,Chloroform
• Peso molecular: 239.040 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 238.954 Da
• Monoisotopic Mass: 238.954 Da
• Topological Polar Surface Area: 86.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 182.000
• 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