Sodium 3-nitrobenzenesulfonate

Base Information

• Chemical Name: Sodium 3-nitrobenzenesulfonate
• CAS No.: 127-68-4
• Deprecated CAS: 55945-59-0
• Molecular Formula: C6H5NNaO5S
• Molecular Weight: 225.157
• Hs Code.: 2904.10
• European Community (EC) Number: 204-857-3
• UNII: 1F11SXJ4C6
• DSSTox Substance ID: DTXSID2027048
• Wikidata: Q27252345
• ChEMBL ID: CHEMBL3188704
• Mol file: 127-68-4.mol

Synonyms:127-68-4;SODIUM 3-NITROBENZENESULFONATE;3-Nitrobenzenesulfonic acid sodium salt;Sodium 3-nitrobenzenesulphonate;Sodium m-nitrobenzenesulfonate;Nitrol S;Ludigol;Benzenesulfonic acid, 3-nitro-, sodium salt;Tiskan [Czech];Ludigol F,60;Tiskan;3-Nitrobenzenesulfonic acid, sodium salt;m-Nitrobenzenesulfonic acid, sodium salt;HSDB 5614;Benzenesulfonic acid, m-nitro-, sodium salt;NSC 9795;EINECS 204-857-3;Nitrobenzen-m-sulfonan sodny [Czech];m-Nitrobenzenesulfonic acid sodium salt;Nitrobenzen-m-sulfonan sodny;UNII-1F11SXJ4C6;1F11SXJ4C6;DTXSID2027048;sodium m-nitrobenzene sulfonate;EC 204-857-3;Benzenesulfonic acid, 3-nitro-, sodium salt (1:1);Benzenesulfonic acid, m-nitro-, sodium salt (8CI);NSC-9795;MFCD00007490;sodium 3-nitrobenzene-1-sulfonate;m-nitrobenzene sulfonic acid sodium salt;C6H4NO5S.Na;sodium 3-nitrophenylsulfonate;Sodium3-nitrobenzenesulphonate;sodium m-nitrobezene sulfonate;sodium;3-nitrobenzenesulfonate;SCHEMBL340713;sodium m-nitrobenzenesulphonate;DTXCID107048;sodium 3-nitro-benzenesulfonate;sodium 3-nitrobenzene sulfonate;sodium m-nitrobenzene-sulphonate;CHEMBL3188704;Sodium 3- nitrobenzenesulphonate;sodium 3-nitrobenzene sulphonate;sodium 3-nitro-benzene sulfonate;LJRGBERXYNQPJI-UHFFFAOYSA-M;3-nitrobenzene sulfonate sodium salt;Tox21_200902;Sodium 3-nitrobenzenesulfonate, 98%;3-nitrobenzensulfonic acid sodium salt;AKOS015900868;3-nitro-phenylsulfonic acid sodium salt;3-nitro benzenesulfonic acid sodium salt;3-nitro-benzenesulfonic acid sodium salt;3-nitrobenzene sulfonic acid sodium salt;m-nitrobenzene sulphonic acid sodium salt;NCGC00258456-01;3-nitrobenzene sulphonic acid sodium salt;AC-11596;AS-12915;CAS-127-68-4;LS-32039;Nitrobenzenesulfonic acid, sodium salt, 3-;Acide m-nitrobenznesulfonique, sel de sodium;FT-0616236;N0141;SODIUM 3-NITROBENZENESULFONATE [HSDB];SODIUM M-NITROBENZENESULFONATE [INCI];EN300-142340;W-108378;Q27252345;F1113-0115

Chemical Property of Sodium 3-nitrobenzenesulfonate

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 10.3Pa at 25℃
• Melting Point: 350 °C
• Boiling Point: 215 - 219oC
• PKA: 0[at 20 ℃]
• Flash Point: 100 °C
• PSA: 111.40000
• Density: 1.637g/cm3
• LogP: 2.10290
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: water: soluble50mg/mL, clear to slightly hazy, faintly yellow to
• Water Solubility.: 200 g/L (20 ºC)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 224.97078768
• Heavy Atom Count: 14
• Complexity: 274

Purity/Quality:

98% ^*data from raw suppliers

Sodium 3-nitrobenzenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-43
• Safety Statements: 24-26-37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrobenzesulfonic Acids
• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
• Uses: Sodium 3-nitrobenzenesulfonate is a reagent in the synthesis of azetidinyl ketolides for treatment of susceptible and multidrug resistant community-acquired respiratory tract infections.

Technology Process of Sodium 3-nitrobenzenesulfonate

There total 1 articles about Sodium 3-nitrobenzenesulfonate 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: 98.4%

nitrobenzene (98-95-3,26969-40-4) → sodium 3-nitrobenzenesulfonate (127-68-4)

Guidance literature:

nitrobenzene; With chlorosulfonic acid; at 120 ℃; for 5h;

With sodium carbonate; In water; at 20 ℃; Reagent/catalyst;

Reference yield: 81.3%

aqueous cyanide + 1-methoxy-2-propanol (107-98-2) + 1,4-diamino-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid (4095-85-6) + sodium 3-nitrobenzenesulfonate (127-68-4) → 1,4-diamino-2,3-dicyano-anthraquinone (81-41-4)

Guidance literature:

With sodium hydroxide; sodium hydrogencarbonate; In water;

Reference yield: 78.0%

sodium 3-nitrobenzenesulfonate (127-68-4) → meta-nitrophenol (554-84-7)

Guidance literature:

With potassium hydroxide; sodium hydroxide; In water; for 0.0166667h; microwave irradiation;

upstream raw materials:

nitrobenzene

Downstream raw materials:

2-Hydroxy-5-methylisophthalaldehyde

5-methoxy-[4,7]phenanthroline

8-hydroxyquinoline-5-carbaldehyde

3-chlorosalicylaldehyde

Refernces