6-Chloro-5-nitrotoluene-3-sulphonic acid

Base Information

• Chemical Name: 6-Chloro-5-nitrotoluene-3-sulphonic acid
• CAS No.: 96-92-4
• Molecular Formula: C7H6 Cl N O5 S
• Molecular Weight: 251.647
• European Community (EC) Number: 202-545-1
• DSSTox Substance ID: DTXSID10242075
• Nikkaji Number: J182.118K
• Wikidata: Q83125662
• Mol file: 96-92-4.mol

Synonyms:96-92-4;6-Chloro-5-nitrotoluene-3-sulphonic acid;EINECS 202-545-1;6-CHLORO-5-NITROTOLUENE-3-SULFONIC ACID;4-chloro-3-methyl-5-nitrobenzenesulfonic acid;NCIOpen2_002276;SCHEMBL4479896;DTXSID10242075;6-chlor-5-nitrotoluen-3-sulfonsyre;Benzenesulfonic acid, 4-chloro-3-methyl-5-nitro-

Chemical Property of 6-Chloro-5-nitrotoluene-3-sulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 108.57000
• Density: 1.652g/cm³
• LogP: 3.40730
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 250.9655212
• Heavy Atom Count: 15
• Complexity: 345

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1Cl)[N+](=O)[O-])S(=O)(=O)O

Technology Process of 6-Chloro-5-nitrotoluene-3-sulphonic acid

There total 6 articles about 6-Chloro-5-nitrotoluene-3-sulphonic 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:

→ 6-chloro-5-nitro-toluene-3-sulfonic acid (96-92-4)

Guidance literature:

With ethanol;

Reference yield:

6-chloro-5-nitro-toluene-3-sulfonyl chloride (60310-05-6) → 6-chloro-5-nitro-toluene-3-sulfonic acid (96-92-4)

Guidance literature:

With water;

DOI:10.1002/hlca.19760590206

Reference yield:

→ 6-chloro-5-nitro-toluene-3-sulfonic acid (96-92-4)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1039/jr9360000707

upstream raw materials:

6-chloro-5-nitro-toluene-3-sulfonyl chloride

6-chloro-toluene-3-sulfonyl chloride

6-chloro-toluene-3-sulfonic acid

2-aminotoluene-5-sulfonic acid