2-Aminobenzenesulfonic acid

Base Information

• Chemical Name: 2-Aminobenzenesulfonic acid
• CAS No.: 88-21-1
• Molecular Formula: C6H7NO3S
• Molecular Weight: 173.192
• Hs Code.: 29214200
• European Community (EC) Number: 201-810-9
• NSC Number: 147
• UN Number: 2585
• UNII: ZB9JSA4BH0
• DSSTox Substance ID: DTXSID1024463
• Nikkaji Number: J4.290K
• Wikipedia: Orthanilic_acid
• Wikidata: Q2031743
• Metabolomics Workbench ID: 52837
• ChEMBL ID: CHEMBL1372690
• Mol file: 88-21-1.mol

Synonyms:2-aminobenzenesulfonate;2-aminobenzenesulfonic acid;2-sulfanilic acid;orthanilic acid;ortho-sulfanilic acid

Chemical Property of 2-Aminobenzenesulfonic acid

Chemical Property:

• Appearance/Colour: light brown powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 300 °C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 363oC
• PKA: 2.48(at 25℃)
• PSA: 88.77000
• Density: 1.512 g/cm³
• LogP: 2.17750
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: 3.565g/L in organic solvents at 20 ℃
• Water Solubility.: sparingly soluble
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 173.01466426
• Heavy Atom Count: 11
• Complexity: 219
• Transport DOT Label: Corrosive

Purity/Quality:

99.9% ^*data from raw suppliers

2-AminobenzenesulphonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-28A

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Aminobenzenesulfonic Acids
• Canonical SMILES: C1=CC=C(C(=C1)N)S(=O)(=O)O

Technology Process of 2-Aminobenzenesulfonic acid

There total 41 articles about 2-Aminobenzenesulfonic 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%

aniline (62-53-3) → 2-amino-1-benzenesulfonic acid (88-21-1)

Guidance literature:

With sodium hydrogen sulfate; sulfuric acid; at 200 ℃; for 19h; Reagent/catalyst; Temperature;

Reference yield: 97.0%

2-nitrobenzenesulfonic acid (80-82-0) → 2-amino-1-benzenesulfonic acid (88-21-1)

Guidance literature:

With hydrogen; at 120 ℃; for 0.75h; under 30003 - 37503.8 Torr; Reflux;

Reference yield: 95.0%

thioindigo (522-75-8) → 2-amino-1-benzenesulfonic acid (88-21-1)

Guidance literature:

With (2,2':6',2''-terpyridine)(pyridine-2-carboxylate)iron(II)chloride; sodium hydroxide; In water; acetonitrile;

DOI:10.1016/j.molcata.2011.02.002

upstream raw materials:

N-phenylsulfamic acid

2-amino-5-bromobenzenesulfonic acid

4-bromo-3-sulfo-benzoic acid

2-nitrobenzenesulfenyl chloride

Downstream raw materials:

2-ethylamino-benzenesulfonic acid

2-(3-hydroxy-[2]naphthoylamino)-benzenesulfonic acid

2-ureido-benzenesulfonic acid

benzene-1,2-disulfonic acid

Refernces

• 1、 -. "Orthanilic acid synthesizing method". . . Retrieved 2018/03/25.
• 2、 -. "Method for preparing aniline-2-sulfonic acid". Paragraph 0017; 0018; 0019; 0020. . Retrieved 2016/12/16.