4-(2-Chloroacetamido)phenylarsonic acid

Base Information

• Chemical Name: 4-(2-Chloroacetamido)phenylarsonic acid
• CAS No.: 5425-62-7
• Molecular Formula: C8H9 As Cl N O4
• Molecular Weight: 293.538
• Hs Code.: 2931900090
• European Community (EC) Number: 226-569-7
• NSC Number: 43640,12629
• DSSTox Substance ID: DTXSID20202605
• Nikkaji Number: J81.026F
• Mol file: 5425-62-7.mol

Synonyms:5425-62-7;4-(2-Chloroacetamido)phenylarsonic acid;NSC 12629;EINECS 226-569-7;NSC 43640;BRN 2981394;ARSONIC ACID, (4-((CHLOROACETYL)AMINO)PHENYL)-;(4-((Chloroacetyl)amino)phenyl)arsonic acid;Acide monochloroacetamido-4 benzene arsonique [French];Acide monochloroacetamido-4 benzene arsonique;C8H9AsClNO4;C8-H9-As-Cl-N-O4;ANTINEOPLASTIC-12629;ANTINEOPLASTIC-43640;DTXSID20202605;NSC12629;NSC43640;NSC-12629;NSC-43640;4-[(Chloroacetyl)amino]phenylarsonic acid;LS-21911

Chemical Property of 4-(2-Chloroacetamido)phenylarsonic acid

Chemical Property:

• Melting Point: 285 °C (decomp)(Solv: water (7732-18-5))
• Boiling Point: °Cat760mmHg
• PKA: 3.66±0.10(Predicted)
• Flash Point: °C
• PSA: 86.63000
• Density: g/cm³
• LogP: -0.50210
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 292.943605
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

N-CHLOROACETYLARSANILIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)CCl)[As](=O)(O)O

Technology Process of 4-(2-Chloroacetamido)phenylarsonic acid

There total 5 articles about 4-(2-Chloroacetamido)phenylarsonic 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:

p-aminophenylarsonic acid (98-50-0) + chloroacetyl chloride (79-04-9) → [4-(2-chloro-acetylamino)-phenyl]-arsonic acid (5425-62-7)

Guidance literature:

With sodium acetate; acetic acid; at 25 ℃;

Reference yield:

p-aminophenylarsonic acid (98-50-0) + chloroacetic acid (79-11-8) → [4-(2-chloro-acetylamino)-phenyl]-arsonic acid (5425-62-7)

Guidance literature:

Reference yield:

p-aminophenylarsonic acid (98-50-0) + sodium acetate (127-09-3) + acetic acid (64-19-7,77671-22-8) + chloroacetyl chloride (79-04-9) → [4-(2-chloro-acetylamino)-phenyl]-arsonic acid (5425-62-7)

Guidance literature:

upstream raw materials:

p-aminophenylarsonic acid

sodium acetate

acetic acid

chloroacetyl chloride

Downstream raw materials:

(4-glycoloylamino-phenyl)-arsonic acid

(4-glycylamino-phenyl)-arsonic acid