Roxarsone

Base Information

• Chemical Name: Roxarsone
• CAS No.: 121-19-7
• Deprecated CAS: 8028-22-6,8028-23-7,8028-23-7
• Molecular Formula: C6H6AsNO6
• Molecular Weight: 263.038
• Hs Code.: 29319090
• European Community (EC) Number: 204-453-7
• NSC Number: 757312,2101
• UN Number: 1557
• UNII: H5GU9YQL7L
• DSSTox Substance ID: DTXSID9020956
• Wikipedia: Roxarsone
• Wikidata: Q3049725
• NCI Thesaurus Code: C76429
• Metabolomics Workbench ID: 45942
• ChEMBL ID: CHEMBL1321154
• Mol file: 121-19-7.mol

Synonyms:3 Nitro 10;3 Nitro 4 Hydroxyphenylarsonic Acid;3-Nitro-10;3-Nitro-4-Hydroxyphenylarsonic Acid;3Nitro10;Acid, 3-Nitro-4-Hydroxyphenylarsonic;Roxarsone

Chemical Property of Roxarsone

Chemical Property:

• Appearance/Colour: Pale yellow crystals or light tan powder
• Vapor Pressure: 2.24E-12mmHg at 25°C
• Melting Point: ≥300 °C(lit.)
• Boiling Point: 537.311 °C at 760 mmHg
• PKA: 3.51±0.10(Predicted)
• Flash Point: 240.331 °C
• PSA: 123.58000
• Density: 2.02 g/cm3
• LogP: -0.61540
• Storage Temp.: 0-6°C
• Solubility.: insoluble in Ether
• Water Solubility.: <0.1 g/100 mL at 23℃
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 262.941106
• Heavy Atom Count: 14
• Complexity: 270
• Transport DOT Label: Poison

Purity/Quality:

99%min ^*data from raw suppliers

4-Hydroxy-3-nitrophenylarsonic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 23/25-50/53
• Safety Statements: 20/21-28-45-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Metals -> Arsenic Compounds, Organic
• Canonical SMILES: C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O
• Uses: antiinfective, preservative 4-Hydroxy-3-nitrophenylarsonic Acid is used as a feed additive for chicken to aid in the prevention of coccidiosis caused by E[imeria] tenella and E. necatrix. Formerly in manufacture of arsphenamines; as reagent for zirconium.

Technology Process of Roxarsone

There total 21 articles about Roxarsone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-hydroxyphenylarsonic acid (98-14-6) → roxarsone (121-19-7)

Guidance literature:

With nitric acid;

Reference yield:

phenol (108-95-2,27073-41-2) → roxarsone (121-19-7)

Guidance literature:

Multi-step reaction with 2 steps

2: concentrated sulfuric acid; nitric acid / 0 - 10 °C

With sulfuric acid; nitric acid;

Reference yield:

(4-amino-3-nitro-phenyl)-arsonic acid (5440-06-2) → roxarsone (121-19-7)

Guidance literature:

With potassium hydroxide; at 80 ℃;

upstream raw materials:

(4-chloro-3-nitro-phenyl)-arsonic acid

4-hydroxyphenylarsonic acid

(4-bromo-3-nitro-phenyl)-arsonic acid

(4-iodo-3-nitro-phenyl)-arsonic acid

Downstream raw materials:

4-iodo-2-nitrophenol

3-amino-4-hydroxyphenylarsonic acid

4-Arsenoso-2-nitro-phenol

4-methoxy-3-nitrophenylarsonic acid

Refernces