Phenyl-2-aminobenzenesulfonate

Base Information

• Chemical Name: Phenyl-2-aminobenzenesulfonate
• CAS No.: 68227-69-0
• Molecular Formula: C12H11 N O3 S
• Molecular Weight: 249.29
• European Community (EC) Number: 269-381-0
• DSSTox Substance ID: DTXSID1071294
• Nikkaji Number: J62.908A
• Wikidata: Q72501214
• Mol file: 68227-69-0.mol

Synonyms:Phenyl-2-aminobenzenesulfonate;68227-69-0;phenyl 2-aminobenzenesulfonate;2-Aminobenzenesulfonic acid phenyl ester;Orthanilic acid phenyl ester;Benzenesulfonic acid, 2-amino-, phenyl ester;Phenyl o-aminobenzenesulphonate;EINECS 269-381-0;o-Aminobenzene sulfonic acid phenyl ester;SCHEMBL534724;DTXSID1071294;Phenyl-2-aminobenzenesulfonate, 97%;AKOS015897334;PHENYL-2-AMINOBENZENESULFONATE97;2-aminobenzene sulfonic acid phenyl ester;2- Aminobenzene sulfonic acid phenyl ester;FT-0641170;W-104684

Chemical Property of Phenyl-2-aminobenzenesulfonate

Chemical Property:

• Appearance/Colour: Grayish yellow powder
• Vapor Pressure: 9.09E-08mmHg at 25°C
• Melting Point: 70-73 ºC
• Refractive Index: 1.626
• Boiling Point: 435 ºC at 760 mmHg
• Flash Point: 216.9 ºC
• PSA: 77.77000
• Density: 1.344 g/cm³
• LogP: 3.69850
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.04596439
• Heavy Atom Count: 17
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

Phenyl-2-aminobenzenesulfonate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2N

Technology Process of Phenyl-2-aminobenzenesulfonate

There total 3 articles about Phenyl-2-aminobenzenesulfonate 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:

phenyl 2-nitrobenzenesulfonate (41480-05-1) → phenyl 2-aminobenzenesulfonate (68227-69-0)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; for 3h; Yield given; Heating;

Reference yield:

2-Nitrobenzenesulfonyl chloride (1694-92-4) → phenyl 2-aminobenzenesulfonate (68227-69-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NEt₃ / CH₂Cl₂

2: conc. HCl, Sn / dioxane; ethanol / 1 h / 60 °C

With hydrogenchloride; tin; triethylamine; In 1,4-dioxane; ethanol; dichloromethane;

DOI:10.1021/jo00218a019

Reference yield:

phenol (108-95-2,27073-41-2) → phenyl 2-aminobenzenesulfonate (68227-69-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NEt₃ / CH₂Cl₂

2: conc. HCl, Sn / dioxane; ethanol / 1 h / 60 °C

With hydrogenchloride; tin; triethylamine; In 1,4-dioxane; ethanol; dichloromethane;

DOI:10.1021/jo00218a019

upstream raw materials:

phenyl 2-nitrobenzenesulfonate

2-Nitrobenzenesulfonyl chloride

phenol

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