Benzoic acid, 2-amino-4-arsenoso-

Base Information

• Chemical Name: Benzoic acid, 2-amino-4-arsenoso-
• CAS No.: 5410-84-4
• Molecular Formula: C₇H₆AsNO₃
• Molecular Weight: 227.051
• NSC Number: 12690
• UNII: KBZ7MVJ405
• DSSTox Substance ID: DTXSID40202445
• Wikidata: Q83075711
• Mol file: 5410-84-4.mol

Synonyms:2-Amino-4-arsenosobenzoic acid;BENZOIC ACID, 2-AMINO-4-ARSENOSO-;NSC 12690;5410-84-4;BRN 3254079;KBZ7MVJ405;NSC-12690;3-16-00-01000 (Beilstein Handbook Reference);NSC12690;C7H6AsNO3;UNII-KBZ7MVJ405;ANTINEOPLASTIC-12690;C7-H6-As-N-O3;DTXSID40202445;ANTHRANILIC ACID, 4-ARSENOSO-;LS-35618

Chemical Property of Benzoic acid, 2-amino-4-arsenoso-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 226.956363
• Heavy Atom Count: 12
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[As]=O)N)C(=O)O

Technology Process of Benzoic acid, 2-amino-4-arsenoso-

There total 3 articles about Benzoic acid, 2-amino-4-arsenoso- 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:

2-amino-4-arsono-benzoic acid (6295-18-7) → 2-amino-4-arsenoso-benzoic acid (5410-84-4)

Guidance literature:

With hydrogenchloride; sulfur dioxide;

DOI:10.1021/ja01846a019

Reference yield:

2-amino-4-dichloroarsino-benzoic acid (802266-59-7) → 2-amino-4-arsenoso-benzoic acid (5410-84-4)

Guidance literature:

With sodium hydrogencarbonate;

DOI:10.1021/ja01221a007

Reference yield:

4-arsono-2-nitro-benzoic acid (5411-03-0) → 2-amino-4-arsenoso-benzoic acid (5410-84-4)

Guidance literature:

Multi-step reaction with 3 steps

1: Raney nickel; aqueous NaOH-solution / Hydrogenation

2: water; sulfur dioxide; potassium iodide; hydrochloric acid

3: aqueous sodium hydrogencarbonate

With hydrogenchloride; sodium hydroxide; sulfur dioxide; water; nickel; sodium hydrogencarbonate; potassium iodide;

DOI:10.1021/ja01221a007

upstream raw materials:

2-amino-4-dichloroarsino-benzoic acid

2-amino-4-arsono-benzoic acid

4-arsono-2-nitro-benzoic acid