p-((p-Nitrophenyl)thio)toluene

Base Information

• Chemical Name: p-((p-Nitrophenyl)thio)toluene
• CAS No.: 22865-48-1
• Molecular Formula: C13H11 N O2 S
• Molecular Weight: 245.302
• Hs Code.: 2930909090
• European Community (EC) Number: 245-271-8
• NSC Number: 149653
• UNII: SKB6D2FB97
• DSSTox Substance ID: DTXSID20177405
• Nikkaji Number: J286.327H
• Mol file: 22865-48-1.mol

Synonyms:p-((p-Nitrophenyl)thio)toluene;22865-48-1;P-[(P-NITROPHENYL)THIO]TOLUENE;SKB6D2FB97;(4-nitrophenyl)(p-tolyl)sulfane;EINECS 245-271-8;NSC-149653;Benzene, 1-methyl-4-((4-nitrophenyl)thio)-;1-methyl-4-(4-nitrophenyl)sulfanylbenzene;NSC149653;UNII-SKB6D2FB97;p-Tolyl p-nitrophenyl sulfide;SCHEMBL6577902;DTXSID20177405;CCG-43823;STL376988;AKOS003235542;NSC 149653;1-methyl-4-[(4-nitrophenyl)sulfanyl]benzene;1-METHYL-4-((4-NITROPHENYL)THIO)BENZENE;SR-01000633708-1

Chemical Property of p-((p-Nitrophenyl)thio)toluene

Chemical Property:

• Vapor Pressure: 1.2E-06mmHg at 25°C
• Boiling Point: 412.9°Cat760mmHg
• Flash Point: 203.5°C
• PSA: 71.12000
• Density: 1.27g/cm³
• LogP: 4.57760
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 245.05104977
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of p-((p-Nitrophenyl)thio)toluene

There total 58 articles about p-((p-Nitrophenyl)thio)toluene 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: 100.0%

4-methyl-4'-nitro-diphenyl sulphoxide (22865-49-2) → 4-nitrophenyl 4-methylphenyl sulfide (22865-48-1)

Guidance literature:

With benzo[1,3,2]dioxaborole; In benzene-d6; at 20 ℃;

DOI:10.1016/j.tetlet.2004.09.068

Reference yield: 99.0%

para-dinitrobenzene (100-25-4) + para-thiocresol (106-45-6) → 4-nitrophenyl 4-methylphenyl sulfide (22865-48-1)

Guidance literature:

With potassium phosphate; 18-crown-6 ether; In tetrahydrofuran; at 20 ℃; for 3h; Reagent/catalyst; Solvent;

DOI:10.1016/j.cclet.2019.07.012

Reference yield: 99.0%

p-nitrobenzene iodide (636-98-6) + para-thiocresol (106-45-6) → 4-nitrophenyl 4-methylphenyl sulfide (22865-48-1)

Guidance literature:

With [Ce((L)-proline)₂]₂(oxalate); potassium carbonate; In ethanol; at 80 ℃; for 6h;

DOI:10.1039/c9ob02171j

upstream raw materials:

sodium p-thiocresolate

4-chlorobenzonitrile

potassium p-tolylthiolate

para-thiocresol

Downstream raw materials:

4-nitrophenyl 4-toluenesulfonate

4-amino-4'-methyldiphenylsulphide

1-[4-(4-nitro-phenylsulfanyl)-benzyl]-piperidine; hydrobromide

C₂₀H₁₈N₂O₄S₂