o-Arsanilic acid - ≥98% , CAS No.2045-00-3

CAS: 2045-00-3 Cat. No.: A100461 Molecular Weight: 217.05 Beilstein Registry Number: 16(1)463 EC Number: 218-064-5

GRADE & PURITY ≥98%

Synonyms

(O-AMINOPHENYL)ARSONIC ACID | 2-Arsanilic acid | EN300-19720 | UNII-4P7T2PH7DL | Q27260326 | SCHEMBL3264637 | 2-Aminophenylarsonic acid | AKOS009031463 | NSC12611 | NSC-12611 | 2-Aminobenzinearsonic acid | o-Arsanilic acid | J-013333 | o-Arsanilic acid, 9

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads,FedEx DG Service

Overview

product describtion:

o-Arsanilic Acid is an organoarsenic compound. o-Arsanilic Acid is a highly toxic contaminant and can be found in plants growing in contaminated soil.

Specifications

Synonyms

(O-AMINOPHENYL)ARSONIC ACID | 2-Arsanilic acid | EN300-19720 | UNII-4P7T2PH7DL | Q27260326 | SCHEMBL3264637 | 2-Aminophenylarsonic acid | AKOS009031463 | NSC12611 | NSC-12611 | 2-Aminobenzinearsonic acid | o-Arsanilic acid | J-013333 | o-Arsanilic acid, 9

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C(=C1)N)[As](=O)(O)O
• IUPAC Name: (2-aminophenyl)arsonic acid
• InChIKey: LQCOCUQCZYAYQK-UHFFFAOYSA-N
• INCHI: 1S/C6H8AsNO3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
• Isomeric SMILES: C1=CC=C(C(=C1)N)[As](=O)(O)O
• WGK Germany: 3
• UN Number: 3465
• Packing Group: III
• Molecular Weight: 217.05
• Beilstein: 16(1)463
• Reaxy-Rn: 2937145
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2937145&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Pentaorganoarsane - Oxygen-containing organoarsenic compound - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary amine - Organonitrogen compound - Organoarsenic compound - Amine - 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: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Easily soluble in water, ethanol, and acid, soluble in methanol, glacial acetic acid, and soluble in ether.
• Sensitivity: Light sensitive.Moisture sensitive
• Melt Point(°C): 153°C
• Molecular Weight: 217.050 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 216.972 Da
• Monoisotopic Mass: 216.972 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 179.000
• 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

XLogP3

References

1. Gao Xiao, Jun Zhang, Mingzhu Zheng, Liyin Chen, Samson Afewerki, Manna Dai, Junling Guo.  (2025)  High-throughput continuous microfluidic magnifiable manufactured microstructured MOFs-mediated micropollutants mitigation (M7).  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.131931]