(3-Aminophenyl)phosphonic acid

Base Information

• Chemical Name: (3-Aminophenyl)phosphonic acid
• CAS No.: 5427-30-5
• Molecular Formula: C6H8NO3P
• Molecular Weight: 173.108
• Hs Code.: 2931900090
• European Community (EC) Number: 226-577-0
• NSC Number: 13007
• UNII: ZAL7U4A7S8
• DSSTox Substance ID: DTXSID9063871
• Nikkaji Number: J218.012J
• Wikidata: Q72440757
• ChEMBL ID: CHEMBL158105
• Mol file: 5427-30-5.mol

Synonyms:(3-Aminophenyl)phosphonic acid;5427-30-5;Phosphonic acid, (3-aminophenyl)-;3-Phosphonoaniline;m-Aminobenzenephosphonic acid;3-Aminobenzenephosphonic acid;(m-Aminophenyl)phosphonic acid;Phosphonic acid, (m-aminophenyl)-;3-aminophenylphosphonic acid;EINECS 226-577-0;NSC 13007;Phosphonic acid, P-(3-aminophenyl)-;BRN 2936774;ZAL7U4A7S8;NSC-13007;m-Aminophenylphosphonic acid;3-(Aminophenyl)phosphonicacid;UNII-ZAL7U4A7S8;SCHEMBL176968;CHEMBL158105;DTXSID9063871;(3-Amino-phenyl)-phosphonic acid;P-(3-Aminophenyl)phosphonic acid;NSC13007;AKOS006278199;LS-106436;A7892;EN300-6770389

Chemical Property of (3-Aminophenyl)phosphonic acid

Chemical Property:

• Vapor Pressure: 2.23E-09mmHg at 25°C
• Refractive Index: 1.618
• Boiling Point: 463.2 °C at 760 mmHg
• PKA: pK3: 7.16 (25°C)
• Flash Point: 233.9 °C
• PSA: 93.36000
• Density: 1.51 g/cm³
• LogP: 0.65300
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 173.02418011
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

99%, ^*data from raw suppliers

(3-AMINOPHENYL)PHOSPHONIC 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(=C1)P(=O)(O)O)N

Technology Process of (3-Aminophenyl)phosphonic acid

There total 14 articles about (3-Aminophenyl)phosphonic 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: 99.0%

(3-aminophenyl)phosphonate de diethyle (89277-85-0) → m-aminophenylphosphonic acid (5427-30-5)

Guidance literature:

With hydrogenchloride; In water; for 12h; Heating;

Reference yield: 85.0%

(m-nitrophenyl)phosphonic acid (5337-19-9) → m-aminophenylphosphonic acid (5427-30-5)

Guidance literature:

aluminum nickel; palladium(II) chloride; In water;

Reference yield:

monomethyl (3-nitrophenyl)phosphonate (1220125-40-5) → m-aminophenylphosphonic acid (5427-30-5)

Guidance literature:

monomethyl (3-nitrophenyl)phosphonate; With trimethylsilyl bromide; In N,N-dimethyl-formamide; at 60 ℃; for 2h;

With hydrogen; palladium on carbon; In methanol; water;

upstream raw materials:

(m-nitrophenyl)phosphonic acid

(3-aminophenyl)phosphonate de diethyle

phenylphosphonate

hydrogenchloride

Downstream raw materials:

phosphoric acid

aniline

N⁵-(3-phosphonophenyl)-L-glutamine

Refernces

• 1、 -. "PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY". Paragraph 0105; 0106; 0107; 0108; 0109. . Retrieved 2013/03/26.
• 2、 Cooper, Rachel J.,Camp, Philip J.,Gordon, Ross J.,Henderson, David K.,Henry, Dorothy C. R.,McNab, Hamish,De Silva, Sonali S.,Tackley, Daniel,Tasker, Peter A.,Wight, Paul. "The assembly of rotaxane-like dye/cyclodextrin/surface complexes on aluminium trihydroxide or goethite". . p. 2785 - 2793. Retrieved 2007/10/03.