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

CAS: 127-85-5 Cat. No.: A302325 Formule: C₆H₇AsNNaO₃ Poids moléculaire: 239.04 Numéro CE: 204-869-9

QUALITÉ & PURETÉ ≥98%

Synonyms

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

Storage

Room temperature

Shipped In

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Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

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Pureté

≥98%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

Numéro ONU

2473

Groupe d'emballage

III

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water; Slightly soluble in Alcohol; Very slightly soluble in Ether,Chloroform
• Poids moléculaire: 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