1-Naphthalenesulfonic acid

Base Information

• Chemical Name: 1-Naphthalenesulfonic acid
• CAS No.: 85-47-2
• Deprecated CAS: 119020-53-0
• Molecular Formula: C10H8 O3 S
• Molecular Weight: 208.238
• Hs Code.: 29041000
• European Community (EC) Number: 246-676-2,201-610-1,268-860-1,270-177-9
• UNII: 0SJH61WM2J
• DSSTox Substance ID: DTXSID7048033
• Nikkaji Number: J124.113C
• Wikipedia: Naphthalene-1-sulfonic_acid
• Wikidata: Q10395591
• Metabolomics Workbench ID: 54282
• ChEMBL ID: CHEMBL1160029
• Mol file: 85-47-2.mol

Synonyms:1-naphthalenemonosulfonate;1-naphthalenesulfonic acid

Chemical Property of 1-Naphthalenesulfonic acid

Chemical Property:

• Appearance/Colour: grey fine crystalline powder
• Vapor Pressure: 7.23E-21mmHg at 25°C
• Melting Point: 77-79 °C(lit.)
• Refractive Index: 1.4998 (estimate)
• Boiling Point: 392oC
• PKA: 0.17±0.10(Predicted)
• Flash Point: 380.2oC
• PSA: 62.75000
• Density: 1.423 g/cm³
• LogP: 3.16730
• Storage Temp.: Store below +30°C.
• Solubility.: alcohol: freely soluble
• Water Solubility.: freely soluble
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 208.01941529
• Heavy Atom Count: 14
• Complexity: 291

Purity/Quality:

Naphthalene-1-sulfonicAcid(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,F
• Statements: 34-11-35
• Safety Statements: 26-36/37/39-45-28A-16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Other Classes -> Naphthalenes
• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O
• Uses: 1-Naphthalenesulfonic acid was used as template molecule to prepare new non-covalent molecularly imprinted polymer for solid-phase extraction of naphthalene sulfonates.

Technology Process of 1-Naphthalenesulfonic acid

There total 37 articles about 1-Naphthalenesulfonic 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: 95.7%

naphthalene (91-20-3,71998-51-1,72931-45-4) → 1-naphthalenesulfonic acid (85-47-2)

Guidance literature:

With sulfur trioxide; at 60 ℃; Temperature; Solvent;

Reference yield: 88.3%

naphthalene (91-20-3,71998-51-1,72931-45-4) → naphthalene-2-sulfonate (120-18-3) + 1-naphthalenesulfonic acid (85-47-2)

Guidance literature:

With sulfuric acid; at 160 - 170 ℃; for 1.5h;

Reference yield: 85.0%

1-Naphthalenesulfonyl chloride (85-46-1) → 1-naphthalenesulfonic acid (85-47-2)

Guidance literature:

1-Naphthalenesulfonyl chloride; With N-ethyl-N,N-diisopropylamine; Wang resin; In dichloromethane; at 22 ℃;

With trifluoroacetic acid; In dichloromethane; for 1h; Further stages.;

DOI:10.1021/ol991163z

upstream raw materials:

1,4-Oxathiane

naphthalene

naphthalene-1-sulphinic acid

naphthalene-1-sulfonic acid menthyl ester

Downstream raw materials:

1-Naphthalenesulfonyl chloride

naphthalene-1,7-disulphonic acid

naphthalene-1,6-disulfonic acid

5-sulfonaphthalene-1-sulfonic anhydride

Refernces

• 1、 Saha, Tapan Kumar,Frauendorf, Holm,Meyer, Franc. "Oxidative Degradation of Azo Dyes in Aqueous Solution by Water-Soluble Iron Porphyrin Catalyst". . p. 2870 - 2881. Retrieved 2021/07/14.
• 2、 -. "Aryl and alkyl sulfonic acid compounds as well as construction method adopting inorganic sulfur salt and application". Paragraph 0046-0049; 0104-0107. . Retrieved 2020/09/16.