2-Chlorocyclohexyl 2,4-dinitrophenyl sulfide

Base Information

• Chemical Name: 2-Chlorocyclohexyl 2,4-dinitrophenyl sulfide
• CAS No.: 5330-96-1
• Molecular Formula: C₁₂H₁₃ClN₂O₄S
• Molecular Weight: 316.765
• NSC Number: 2543
• DSSTox Substance ID: DTXSID30967894
• Nikkaji Number: J54.901K
• Mol file: 5330-96-1.mol

Synonyms:2-Chlorocyclohexyl 2,4-dinitrophenyl sulfide;5330-96-1;1-(2-Chlorocyclohexylthio)-2,4-dinitrobenzene;Sulfide, 2-chlorocyclohexyl 2,4-dinitrophenyl;Benzene, 1-(2-chlorocyclohexylthio)-2,4-dinitro-;1-[(2-Chlorocyclohexyl)sulfanyl]-2,4-dinitrobenzene;Benzene, 1-((2-chlorocyclohexyl)thio)-2,4-dinitro-;Benzene, 1-[(2-chlorocyclohexyl)thio]-2,4-dinitro-;NSC 2543;Sulfide,4-dinitrophenyl;DTXSID30967894;NSC2543;LTAJOOMBQCYMBL-UHFFFAOYSA-N;NSC-2543;WLN: L6TJ ASR BNW DNW& BG;STL334077;AKOS022142059;1-[(2-Chlorocyclohexyl)sulfanyl]-2,4-dinitrobenzene #

Chemical Property of 2-Chlorocyclohexyl 2,4-dinitrophenyl sulfide

Chemical Property:

• Vapor Pressure: 2.11E-08mmHg at 25°C
• Boiling Point: 465.6°C at 760 mmHg
• Flash Point: 235.4°C
• Density: 1.44g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 316.0284558
• Heavy Atom Count: 20
• Complexity: 373

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

Technology Process of 2-Chlorocyclohexyl 2,4-dinitrophenyl sulfide

There total 9 articles about 2-Chlorocyclohexyl 2,4-dinitrophenyl sulfide 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: 41.0%

acetamide (60-35-5) + 2,4-dinitrobenzenesulfenyl chloride (528-76-7) + cyclohexene (110-83-8) → 1-(2-Chloro-cyclohexylsulfanyl)-2,4-dinitro-benzene (5330-96-1) + 2-(2,4-Dinitrophenylthio)cyclohexyl ethanimidate

Guidance literature:

In 1,2-dichloro-ethane; at 50 ℃; for 0.166667h;

Reference yield: 36.0%

2,4-dinitrobenzenesulfenyl chloride (528-76-7) + acetic acid (64-19-7,77671-22-8) + cyclohexene (110-83-8) → 1-(2-Chloro-cyclohexylsulfanyl)-2,4-dinitro-benzene (5330-96-1) + 2-(2,4-dinitrophenylthio)acetoxycyclohexane (61854-11-3)

Guidance literature:

With lithium perchlorate; at 25 ℃;

Reference yield:

2,4-dinitrobenzenesulfenyl chloride (528-76-7) + cyclohexene (110-83-8) → (+/-)-(trans-2-chloro-cyclohexyl)-(2,4-dinitro-phenyl)-sulfide (5330-96-1,68342-21-2)

Guidance literature:

With ethylene dibromide;

DOI:10.1021/ja01199a012

upstream raw materials:

2,4-dinitrobenzenesulfenyl chloride

acetic acid

cyclohexene

formic acid

Downstream raw materials:

trans-2-chlorocyclohexyl perchlorate

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