2-Amino-5-chlorobenzenesulfonic acid

Base Information

• Chemical Name: 2-Amino-5-chlorobenzenesulfonic acid
• CAS No.: 133-74-4
• Molecular Formula: C6H6ClNO3S
• Molecular Weight: 207.638
• Hs Code.: 29214300
• European Community (EC) Number: 205-119-3
• DSSTox Substance ID: DTXSID80157900
• Nikkaji Number: J166.343G
• Wikidata: Q72456244
• Mol file: 133-74-4.mol

Synonyms:2-amino-5-chlorobenzenesulfonic acid;133-74-4;4-CHLOROANILINE-2-SULFONIC ACID;2-Amino-5-chlorobenzenesulphonic acid;EINECS 205-119-3;2-amino-5-chlorobenzene-1-sulfonic acid;5-Chloroorthanilic acid;2-amino-5-chloro-benzenesulfonic acid;p-Chloranilin-o-sulfosaure;SCHEMBL1755039;AMY6353;DTXSID80157900;MFCD00035776;AKOS015890848;PS-8057;Benzenesulfonic acid, 2-amino-5-chloro-;A806673;A1-00104

Chemical Property of 2-Amino-5-chlorobenzenesulfonic acid

Chemical Property:

• Melting Point: >300 °C
• Refractive Index: 1.639
• PKA: -1.76±0.42(Predicted)
• PSA: 88.77000
• Density: 1.642 g/cm³
• LogP: 2.83090
• Storage Temp.: Refrigerator
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Water (Slightly)
• Water Solubility.: 3.13g/L(0 oC)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.9756919
• Heavy Atom Count: 12
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-5-chlorobenzenesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)S(=O)(=O)O)N
• Uses: 2-Amino-5-chlorobenzenesulfonic Acid can be used as reactant/reagent in determination of the dissociation constants of some newly synthesized arylhydrazones of indane-?1,?3-?dione.

Technology Process of 2-Amino-5-chlorobenzenesulfonic acid

There total 10 articles about 2-Amino-5-chlorobenzenesulfonic 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: 95.0%

6-chloro-1,3-benzothiazole (2942-10-1) → 2-amino-5-chlorobenzenesulfonic acid (133-74-4)

Guidance literature:

With [RuCl(P(C₆H₅)3)2(O(C₆H₄)NCH(C₄H₃N))]; bromamine B; sodium hydroxide; In water; acetonitrile; at 39.84 ℃; for 5.5h;

DOI:10.1016/j.molcata.2010.06.006

Reference yield: 87.0%

4-chloro-aniline (106-47-8) → 2-amino-5-chlorobenzenesulfonic acid (133-74-4)

Guidance literature:

With sulfuric acid; for 0.05h; microwave irradiation;

Reference yield:

(4-chloro-phenyl)-amidosulfuric acid (19063-16-2) → 2-amino-5-chlorobenzenesulfonic acid (133-74-4)

Guidance literature:

at 200 ℃; Beim Erhitzen der N-<4-chlor-phenyl>-sulfamidsauren Salze;

upstream raw materials:

(4-chloro-phenyl)-amidosulfuric acid

4-chloro-aniline

N-(4-chlorophenyl)acetamide

sulfuric acid

Downstream raw materials:

2,5-diaminobenzenesulfonic acid

4-chloro-2,6-dibromoaniline

4-chloro-2-sulfobenzenediazonium chloride

4-chloro-2-sulfo-benzenediazonium-betaine

Refernces

• 1、 Mills,Clark. "-". . p. 175,178. Retrieved 1936.
• 2、 Li, Hui-Zhang,Xiao, Li-Wei,Li, Hong-Ya,Wang, Kai-Fang,Li, Xu. "A study on the sulfonation of aromatic amines with sulfuric acid under microwave irradiation". . p. 493 - 494. Retrieved 2007/10/03.
• 3、 -. "Triphendioxazine dyestuffs". . . Retrieved 2008/06/13.