2-Nitro-4-carboxyphenylsulfenyl chloride

Base Information

• Chemical Name: 2-Nitro-4-carboxyphenylsulfenyl chloride
• CAS No.: 19961-56-9
• Molecular Formula: C₇H₄ClNO₄S
• Molecular Weight: 233.632
• Hs Code.: 2930909090
• European Community (EC) Number: 803-337-9
• DSSTox Substance ID: DTXSID40173747
• Wikidata: Q83043769
• Mol file: 19961-56-9.mol

Synonyms:2-NCPSC;2-nitro-4-carboxyphenylsulfenyl chloride

Chemical Property of 2-Nitro-4-carboxyphenylsulfenyl chloride

Chemical Property:

• Vapor Pressure: 1.14E-09mmHg at 25°C
• Melting Point: 187 °C
• Boiling Point: 470.9°Cat760mmHg
• PKA: 3.07±0.10(Predicted)
• Flash Point: 238.6°C
• PSA: 108.42000
• Density: 1.68g/cm³
• LogP: 3.06210
• Storage Temp.: Store at -20
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 232.9549565
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

2-NITRO-4-CARBOXY PHENYLSULPHENYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SCl

Technology Process of 2-Nitro-4-carboxyphenylsulfenyl chloride

There total 2 articles about 2-Nitro-4-carboxyphenylsulfenyl chloride 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:

bis(2-nitro-4-carboxyphenyl) disulfide (49706-71-0) → 4-chloromercapto-3-nitro-benzoic acid (19961-56-9)

Guidance literature:

With sulfuric acid; chlorine; 1,2-dichloro-ethane;

DOI:10.1007/BF02886318

Reference yield:

→ 4-chloromercapto-3-nitro-benzoic acid (19961-56-9)

Guidance literature:

3-Nitro-4-chlorbenzoesaeure, MeSH, Cl2;

Reference yield:

(Z)-2-Butene (590-18-1) + 4-chloromercapto-3-nitro-benzoic acid (19961-56-9) → 4-((1RS,2RS)-2-chloro-1-methyl-propylsulfanyl)-3-nitro-benzoic acid (99860-15-8)

Guidance literature:

With chloroform;

DOI:10.1007/BF02886318

upstream raw materials:

bis(2-nitro-4-carboxyphenyl) disulfide

Downstream raw materials:

4-((1RS,2RS)-2-chloro-1-methyl-propylsulfanyl)-3-nitro-benzoic acid

4-((1RS,2SR)-2-chloro-1-methyl-propylsulfanyl)-3-nitro-benzoic acid

4-butyldisulfanyl-3-nitro-benzoic acid

4-Aethoxymercapto-3-nitro-benzoesaeure

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