2-[(4-Chlorophenyl)sulfanyl]-5-nitrobenzenecarbaldehyde

Base Information

• Chemical Name: 2-[(4-Chlorophenyl)sulfanyl]-5-nitrobenzenecarbaldehyde
• CAS No.: 42191-01-5
• Molecular Formula: C₁₃H₈ClNO₃S
• Molecular Weight: 293.73
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID40393266
• Wikidata: Q82191978
• Mol file: 42191-01-5.mol

Synonyms:42191-01-5;2-[(4-Chlorophenyl)sulfanyl]-5-nitrobenzenecarbaldehyde;2-((4-Chlorophenyl)thio)-5-nitrobenzaldehyde;2-(4-chlorophenyl)sulfanyl-5-nitrobenzaldehyde;2-[(4-chlorophenyl)sulfanyl]-5-nitrobenzaldehyde;5-Nitro-2-(4-chlorophenylthio)benzaldehyde;JS-005C;Brominepentafluoride;2-(4-chlorophenylthio)-5-nitrobenzaldehyde;SCHEMBL6922508;DTXSID40393266;MFCD00173718;AKOS005073083;CS-0358360;FT-0639770

Chemical Property of 2-[(4-Chlorophenyl)sulfanyl]-5-nitrobenzenecarbaldehyde

Chemical Property:

• Vapor Pressure: 2.43E-08mmHg at 25°C
• Refractive Index: 1.675
• Boiling Point: 451.5 °C at 760 mmHg
• Flash Point: 226.8 °C
• PSA: 88.19000
• Density: 1.46 g/cm³
• LogP: 4.73510
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 292.9913420
• Heavy Atom Count: 19
• Complexity: 328

Purity/Quality:

98%Min ^*data from raw suppliers

5-Nitro-2-(4-chlorophenylthio)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C=O)Cl

Technology Process of 2-[(4-Chlorophenyl)sulfanyl]-5-nitrobenzenecarbaldehyde

There total 2 articles about 2-[(4-Chlorophenyl)sulfanyl]-5-nitrobenzenecarbaldehyde 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:

p-Chlorothiophenol (106-54-7) + 2-chloro-5-nitrobenzaldehyde (6361-21-3) → 2-(4-Chloro-phenylsulfanyl)-5-nitro-benzaldehyde (42191-01-5)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide; at 100 ℃; for 0.25h;

DOI:10.1016/S0968-0896(97)00174-0

Reference yield:

→ 2-(4-Chloro-phenylsulfanyl)-5-nitro-benzaldehyde (42191-01-5)

Guidance literature:

Reference yield:

2-(4-Chloro-phenylsulfanyl)-5-nitro-benzaldehyde (42191-01-5) + cyclohexylamine (108-91-8,157973-60-9) → {[2-(4-Chloro-phenylsulfanyl)-5-nitro-phenyl]-hydroxy-methyl}-phosphonic acid; compound with cyclohexylamine

Guidance literature:

With tris(trimethylsilyl) phosphite; Multistep reaction; 1.) THF, RT, 3 h, 2.) EtOH;

DOI:10.1016/S0968-0896(97)00174-0

upstream raw materials:

p-Chlorothiophenol

2-chloro-5-nitrobenzaldehyde

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