2-[(5-Chloro-2-nitrophenyl)sulfanyl]benzoic acid

Base Information

Chemical Name:2-[(5-Chloro-2-nitrophenyl)sulfanyl]benzoic acid
CAS No.:54920-86-4
Molecular Formula:C₁₃H₈ClNO₄S
Molecular Weight:309.73
Hs Code.:
DSSTox Substance ID:DTXSID401255288
Nikkaji Number:J253.267K

Synonyms:DTXSID401255288;AKOS017552983;54920-86-4;2-[(5-Chloro-2-nitrophenyl)thio]benzoic acid;2-[(5-chloro-2-nitrophenyl)sulfanyl]benzoic acid

Suppliers and Price of 2-[(5-Chloro-2-nitrophenyl)sulfanyl]benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-[(5-Chloro-2-nitrophenyl)sulfanyl]benzoic acid

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:308.9862566
Heavy Atom Count:20
Complexity:376

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)O)SC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Technology Process of 2-[(5-Chloro-2-nitrophenyl)sulfanyl]benzoic acid

There total 3 articles about 2-[(5-Chloro-2-nitrophenyl)sulfanyl]benzoic 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: 83.0%

: 611-06-3
2,4-dichloronitrobenzene

: 147-93-3
Thiosalicylic acid

: 54920-86-4
2-(5-chloro-2-nitro-phenylsulfanyl)-benzoic acid

Guidance literature:: With sodium ethanolate; In ethanol; for 1h; Heating;
DOI:10.1021/jm00403a009

Reference yield:

: 147-93-3
Thiosalicylic acid

: 610-40-2
3,4-dinitro-chlorobenzene

: 54920-86-4
2-(5-chloro-2-nitro-phenylsulfanyl)-benzoic acid

Guidance literature:: With copper; sodium carbonate; benzene;

Reference yield:

: 121-73-3
3-Nitrochlorobenzene

: 54920-86-4
2-(5-chloro-2-nitro-phenylsulfanyl)-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: KNO₃, H₂SO₄

2: aq. K₂CO₃

With sulfuric acid; potassium carbonate; potassium nitrate;
DOI:10.1135/cccc19740333