4-Chloro-3-nitrobenzenesulfonic acid, sodium salt

Base Information

• Chemical Name: 4-Chloro-3-nitrobenzenesulfonic acid, sodium salt
• CAS No.: 17691-19-9
• Deprecated CAS: 119907-97-0
• Molecular Formula: C6H3ClNNaO5S
• Molecular Weight: 259.602
• Hs Code.: 2904909090
• European Community (EC) Number: 241-680-0
• UNII: 4ZNE7E5C39
• DSSTox Substance ID: DTXSID5066245
• Mol file: 17691-19-9.mol

Synonyms:17691-19-9;4-Chloro-3-nitrobenzenesulfonic acid, sodium salt;sodium 4-chloro-3-nitrobenzenesulfonate;Sodium 3-nitro-4-chlorobenzenesulfonate;4-Chloro-3-nitrobenzenesulfonic acid sodium salt;sodium;4-chloro-3-nitrobenzenesulfonate;Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt;Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1);Sodium 4-chloro-3-nitrobenzenesulphonate;EINECS 241-680-0;SCHEMBL176738;SODIUM 4-CHLORO-3-NITROBENZENE-1-SULPHONATE;4ZNE7E5C39;DTXSID5066245;POUGKTDTYSAMAT-UHFFFAOYSA-M;MFCD00007496;AKOS002376253;sodium 4-chloro-3-nitrobenzensulfonate;sodium4-chloro-3-nitrobenzenesulfonate;sodium 4-chloro-3-nitro-benzenesulfonate;AC-11461;AS-14860;Sodium 1-chloro-2-nitrobenzene-4-sulfonate;CS-0333824;FT-0618082;I10076;A812215;W-107835;4-chloro-3-nitro-benzenesulfonate;4-Chloro-3-nitrobenzenesulfonic acid sodium salt, technical grade, 80%

Chemical Property of 4-Chloro-3-nitrobenzenesulfonic acid, sodium salt

Chemical Property:

• Appearance/Colour: Slightly yellow crystalline powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 204-208?°C(lit.)
• Boiling Point: 595.75℃[at 101 325 Pa]
• PSA: 111.40000
• Density: 1.747[at 20℃]
• LogP: 2.75630
• Water Solubility.: 1000g/L at 25℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 258.9318153
• Heavy Atom Count: 15
• Complexity: 305

Purity/Quality:

99.9% ^*data from raw suppliers

4-CHLORO-3-NITROBENZENESULFONIC ACID, SODIUM SALT ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl.[Na+]

Technology Process of 4-Chloro-3-nitrobenzenesulfonic acid, sodium salt

There total 1 articles about 4-Chloro-3-nitrobenzenesulfonic acid, sodium salt 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: 98.9%

2-Chloronitrobenzene (88-73-3) → 4-chloro-3-nitrobenzenesulphonic acid sodium salt (17691-19-9)

Guidance literature:

2-Chloronitrobenzene; With chlorosulfonic acid; at 125 ℃; for 4h;

With sodium carbonate; In water; at 20 ℃;

Reference yield: 72.0%

4-chloro-3-nitrobenzenesulphonic acid sodium salt (17691-19-9) + 1-aminooctadecane (124-30-1) → 3-nitro-4-nonadecylamino-benzenesulfonic acid (862589-42-2)

Guidance literature:

With sodium hydrogencarbonate; In methanol; water; butan-1-ol; for 20h; Heating / reflux;

Reference yield:

4-chloro-3-nitrobenzenesulphonic acid sodium salt (17691-19-9) → sodium 4-chloro-3-aminobenzensulfonate (59312-69-5)

Guidance literature:

With hydrogen; In methanol; water; at 20 ℃;

upstream raw materials:

2-Chloronitrobenzene

Downstream raw materials:

4'-butyl-2-nitrodiphenylamine-4-sulfonic acid

2-nitrodiphenylamine-4-sulfonic acid

3-nitro-4-chlorosulfonyl chloride

1,1'-disulphanediylbis(4-chloro-3-nitrobenzene)

Refernces