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

CAS: 127-85-5 Cat. No.: A302325 분자식: C₆H₇AsNNaO₃ 분자량: 239.04 EC 번호: 204-869-9

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

정식 스마일

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

이성체 SMILES

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

UN 번호

2473

포장 그룹

III

분자량

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water; Slightly soluble in Alcohol; Very slightly soluble in Ether,Chloroform
• 분자량: 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