3-Amino-4-chlorobenzenesulfonic acid

Base Information

• Chemical Name: 3-Amino-4-chlorobenzenesulfonic acid
• CAS No.: 98-36-2
• Molecular Formula: C6H6ClNO3S
• Molecular Weight: 207.638
• Hs Code.: 2921420090
• European Community (EC) Number: 202-661-2
• NSC Number: 59702,7538
• UNII: 4MB9E88J9W
• DSSTox Substance ID: DTXSID4059170
• Nikkaji Number: J4.951D
• Wikidata: Q72434252
• Mol file: 98-36-2.mol

Synonyms:3-Amino-4-chlorobenzenesulfonic acid;98-36-2;2-Chloroaniline-5-sulfonic acid;4-Chlorometanilic acid;Benzenesulfonic acid, 3-amino-4-chloro-;Metanilic acid, 4-chloro-;3-Amino-4-chlorobenzenesulphonic acid;3-Amino-4-chloro-benzenesulfonic acid;4MB9E88J9W;EINECS 202-661-2;NSC 59702;NSC-59702;3-amino-4-chlorobenzene-1-sulfonic acid;3-amino-4-chlorobenzenesulfonicacid;MFCD00035764;UNII-4MB9E88J9W;2001-24-3;SCHEMBL341943;o-Chloroaniline m-sulfonic acid;3-amino-4-chlorbenzensulfonsyre;DTXSID4059170;NSC7538;NSC-7538;NSC59702;AKOS003193910;SB77446;1-amino-6-chlorobenzene-3-sulphonic acid;AC-11815;AS-64111;CS-0206125;FT-0607596;FT-0611658;D88512;ammonia;benzene;hydrogen sulfite;hydrochloride;A845849;BENZENESULPHONIC ACID, 3-AMINO-4-CHLORO-;W-100083

Chemical Property of 3-Amino-4-chlorobenzenesulfonic acid

Chemical Property:

• Appearance/Colour: Pinkish fine crystalline powder solid.
• Melting Point: 300 °C
• Boiling Point: 500oC
• PKA: -1.41±0.50(Predicted)
• PSA: 88.77000
• Density: 1.642 g/cm³
• LogP: 2.83090
• Storage Temp.: 2-8°C
• XLogP3: 1
• 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:

98%, ^*data from raw suppliers

2-Chloroaniline-5-sulfonic Acid >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43-36
• Safety Statements: 37/39-26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)O)N)Cl

Technology Process of 3-Amino-4-chlorobenzenesulfonic acid

There total 2 articles about 3-Amino-4-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:

→ 1-amino-2-chlorobenzene-5-sulphonic acid (98-36-2)

Guidance literature:

With iron(II) sulfate; man versetzt darauf mit Aetzbaryt;

Reference yield:

→ 1-amino-2-chlorobenzene-5-sulphonic acid (98-36-2)

Guidance literature:

Chlorbenzol, Hydroxylamin-sulfat;

Reference yield: 73.0%

1,10-Phenanthroline (66-71-7) + 1-amino-2-chlorobenzene-5-sulphonic acid (98-36-2) + water (7732-18-5) + zinc(II) oxide → [zinc(phenanthroline)2(4-chloro-3-aminobenzene sulfonate)2] dihydrate

Guidance literature:

In ethanol; water; Cl(NH2)C6H3SO3H (10.0 mmol) added to suspn. oa ZnO (5.0 mmol) (H2O) withstirring, then soln. of N2C12H8 (10.0 mmol) (EtOH) added, heated at 80. degree.C for 15 min; filtered, crystd. for several d; elem. anal.;

DOI:10.1002/zaac.201000136

Downstream raw materials:

3-amino-4-chloro-benzenesulfonyl chloride

4-chloro-3-hydrazino-benzenesulfonic acid

2-Chloro-5-sulfo-benzenediazonium; chloride

4-Chloro-3-(4,6-diamino-2-ethylsulfanyl-pyrimidin-5-ylazo)-benzenesulfonic acid

Refernces

• 1、 -. "Alkanol substituted disazo orange dye for nylon". . . Retrieved 2008/06/13.
• 2、 -. "Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge". . . Retrieved 2008/06/13.