Diethylarsinic acid

Base Information

• Chemical Name: Diethylarsinic acid
• CAS No.: 4964-27-6
• Molecular Formula: C4H11AsO2
• Molecular Weight: 166.052
• NSC Number: 152889
• UNII: L8MG5ZT4NJ
• DSSTox Substance ID: DTXSID60197945
• Nikkaji Number: J35.230F
• Wikidata: Q83070698
• Mol file: 4964-27-6.mol

Synonyms:Diethylarsinic acid;Arsinic acid, diethyl-;Diethyl arsinic acid;ARSINE OXIDE, DIETHYLHYDROXY-;4964-27-6;Diethylhydroxy arsine oxide;BRN 1743728;NSC-152889;Diethylhydroxyarsine oxide;As,As-Diethylarsinic acid;L8MG5ZT4NJ;C4H11AsO2;(Diethylhydroxy)arsine oxide;Arsinic acid, As,As-diethyl-;SCHEMBL8930988;WLN: Q-AS-O&2&2;ANTINEOPLASTIC-152889;DTXSID60197945;NSC152889;NSC 152889;LS-21867

Chemical Property of Diethylarsinic acid

Chemical Property:

• Vapor Pressure: 0.00103mmHg at 25°C
• Melting Point: 133-134 °C
• Boiling Point: 268.5°Cat760mmHg
• PKA: 6.48±0.58(Predicted)
• Flash Point: 121.3°C
• PSA: 37.30000
• Density: g/cm³
• LogP: 0.89120
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.997499
• Heavy Atom Count: 7
• Complexity: 81.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[As](=O)(CC)O

Technology Process of Diethylarsinic acid

There total 1 articles about Diethylarsinic acid 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:

ethyl 4-nitrophenyl carbonate (6132-45-2) + dodecylammonium diethylarsinate (77257-16-0) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + diethylarsenic acid (4964-27-6) + ethyl-N-dodecylurethane (6268-50-4)

Guidance literature:

With water; In chloroform; at 25 ℃; Kinetics; Rate constant; Thermodynamic data; Δ H(excit.), Δ S(excit.): dependence on H2O concentration at var. temp.;

DOI:10.1021/jo00326a017

upstream raw materials:

ethyl 4-nitrophenyl carbonate

dodecylammonium diethylarsinate

Refernces