Perthane

Base Information

• Chemical Name: Perthane
• CAS No.: 72-56-0
• Molecular Formula: C18H20 Cl2
• Molecular Weight: 307.263
• Hs Code.: 2903999090
• European Community (EC) Number: 200-785-1
• UN Number: 2761
• UNII: L0Q9DRK4W8
• DSSTox Substance ID: DTXSID4020589
• Nikkaji Number: J5.251E
• Wikidata: Q21495322
• ChEMBL ID: CHEMBL551883
• Mol file: 72-56-0.mol

Synonyms:1,1-dichloro-2,2-bis(p-ethylphenyl)ethane;perthane

Chemical Property of Perthane

Chemical Property:

• Vapor Pressure: 1.81E-06mmHg at 25°C
• Melting Point: 56-57℃ (methanol )
• Refractive Index: 1.5610 (estimate)
• Boiling Point: 407.2ºC at 760 mmHg
• Flash Point: 212.1 ºC
• PSA: 0.00000
• Density: 1.117 g/cm³
• LogP: 5.74700
• Storage Temp.: 0-6°C
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 306.0942060
• Heavy Atom Count: 20
• Complexity: 237
• Transport DOT Label: Poison

Purity/Quality:

98%,99%, ^*data from raw suppliers

Perthan ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl
• Description: 1,1-dichloro-2,2-bis-(4- ethylphenyl)ethane (mp 60–61 ?C) is a rapidly biodegradable insecticide with very low mammalian toxicity, rat oral LD50 8170 mg/kg. It has been used as a household insecticide.

Technology Process of Perthane

There total 5 articles about Perthane 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:

dichloroacetaldehyde diethyl acetal (619-33-0) + ethylbenzene (100-41-4,27536-89-6) → perthane (72-56-0)

Guidance literature:

With sulfuric acid; unter Kuehlung;

DOI:10.1021/ja01302a066

Reference yield:

1-(4-ethylphenyl)-2,2,2-trichloroethanol (39718-61-1) → perthane (72-56-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Al-Hg, iPrOH

2: SO₃/H₂SO₄

With aluminium amalgam; sulfuric acid; sulfur trioxide; isopropyl alcohol;

Reference yield:

4-ethylbenzylaldehyde (4748-78-1) → perthane (72-56-0)

Guidance literature:

Multi-step reaction with 2 steps

1: nBuLi

2: SO₃/H₂SO₄

With n-butyllithium; sulfuric acid; sulfur trioxide;

upstream raw materials:

dichloroacetaldehyde diethyl acetal

ethylbenzene

2,2-dichloro-1-(4-ethyl-phenyl)-ethanol

1-(4-ethylphenyl)-2,2,2-trichloroethanol

Downstream raw materials:

1,1-bis-(4-ethyl-phenyl)-2-chloro-ethene

1-ethyl-4-[2-(4-ethylphenyl)-1-ethynyl]benzene

1,1-bis-(4-ethyl-phenyl)-1,2,2-trichloro-ethane

1,1-bis-(4-ethyl-phenyl)-2,2-dichloro-ethanol

Refernces

• 1、 -. "Physical, chemical, and isotopic (atomic) labels". . . Retrieved 2008/06/13.