2-Amino-5-chloro-4-methylbenzenesulfonic acid

Base Information

• Chemical Name: 2-Amino-5-chloro-4-methylbenzenesulfonic acid
• CAS No.: 88-53-9
• Molecular Formula: C7H8ClNO3S
• Molecular Weight: 221.664
• Hs Code.: 2921430090
• European Community (EC) Number: 201-839-7
• UNII: HNF96511X2
• DSSTox Substance ID: DTXSID7026528
• Nikkaji Number: J4.427J
• Wikidata: Q17521832
• ChEMBL ID: CHEMBL3182943
• Mol file: 88-53-9.mol

Synonyms:2-amino-5-chloro-4-methylbenzenesulfonic acid;Lake Red C Amine;LRCA

Chemical Property of 2-Amino-5-chloro-4-methylbenzenesulfonic acid

Chemical Property:

• Appearance/Colour: White to light reddish powder
• Melting Point: 109oC
• Boiling Point: 394oC
• PKA: -1.59±0.50(Predicted)
• PSA: 88.77000
• Density: 1.553 g/cm³
• LogP: 3.13930
• Water Solubility.: Practically insoluble in water
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 220.9913420
• Heavy Atom Count: 13
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

5-Amino-2-chlorotoluene-4-sulfonic Acid >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Aminobenzenesulfonic Acids
• Canonical SMILES: CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N
• Uses: Intermediate for azo pigments.

Technology Process of 2-Amino-5-chloro-4-methylbenzenesulfonic acid

There total 10 articles about 2-Amino-5-chloro-4-methylbenzenesulfonic 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:

2-nitro-4-methyl-5-chlorobenzenesulfonic acid (6973-13-3) → 5-amino-2-chloro-toluene-4-sulfonic acid (88-53-9)

Guidance literature:

With iron;

Reference yield:

C7H8ClN*H2O4S → 5-amino-2-chloro-toluene-4-sulfonic acid (88-53-9)

Guidance literature:

In 1,2-dichloro-benzene; at 135 - 190 ℃; for 8h;

Reference yield:

sulfuric acid (7664-93-9) + 3-methyl-4-chloroaniline (7149-75-9) → 5-amino-2-chloro-toluene-4-sulfonic acid (88-53-9)

Guidance literature:

In thiophene;

upstream raw materials:

3-chloro-4-methylbenzenesulfonic acid

sulfuric acid

3-methyl-4-chloroaniline

toluene-4-sulfonic acid

Downstream raw materials:

2-amino-5-chloro-4-ethylbenzene-1-sulfonic acid

2-ammonio-5-chloro-4-methylbenzenesulfonate 1-methyl-2-pyrrolidone monosolvate

2-chloro-5-hydroxy-toluene-4-sulfonic acid ; sodium-compound

2-amino-5-chloro-4-methyl-benzenesulfonyl chloride

Refernces

• 1、 -. "A continuous catalytic hydrogenation reduction for preparing CLT acid". Paragraph 0034; 0035; 0036; 0037; 0038; 0039-0046. . Retrieved 2017/08/25.
• 2、 -. "Azo pigment compositions and process for their preparation". . . Retrieved 2008/06/13.