Petrichloral

Base Information

• Chemical Name: Petrichloral
• CAS No.: 78-12-6
• Molecular Formula: C₁₃H₁₆Cl₁₂O₈
• Molecular Weight: 725.701
• UNII: U49LID4UYJ
• DSSTox Substance ID: DTXSID00861633
• Nikkaji Number: J4.218H
• Wikipedia: Petrichloral
• Wikidata: Q7178786
• NCI Thesaurus Code: C170313
• ChEMBL ID: CHEMBL2104857
• Mol file: 78-12-6.mol

Synonyms:Petrichloral;Periclor;Perichlor;Petrichloral [INN];PENTAERYTHRITOL CHLORAL;Pentaerythritol chlorol;Petrichloralum;Petricloral;Petricloral [INN-Spanish];Petrichloralum [INN-Latin];78-12-6;UNII-U49LID4UYJ;U49LID4UYJ;BRN 1717882;C13H16Cl12O8;DEA No. 2591;1,1',1'',1'''-(Neopentanetetrayltetraoxy)tetrakis(2,2,2-trichloroethanol);2,2,2-trichloro-1-[3-(2,2,2-trichloro-1-hydroxyethoxy)-2,2-bis[(2,2,2-trichloro-1-hydroxyethoxy)methyl]propoxy]ethanol;4-01-00-03145 (Beilstein Handbook Reference);pentaerythritol tetrachloral hemiacetal;1,1',1'',1'''-(Neopentanetetryltetraoxy)tetrakis(2,2,2-trichloroethanol);1,1',1',1'''-(Neopentanetetryltetraoxy)tetrakis(2,2,2-trichloroethanol);Ethanol, 1,1',1'',1'''-(neopentanetetrayltetraoxy)tetrakis(2,2,2-trichloro-;SCHEMBL317125;CHEMBL2104857;DTXSID00861633;CHEBI:135877;C13-H16-Cl12-O8;PENTAERYTHRITOL CHLORAL [MI];LS-66966;Q7178786;1,1'-[{2,2-Bis[(2,2,2-trichloro-1-hydroxyethoxy)methyl]propane-1,3-diyl}bis(oxy)]bis(2,2,2-trichloroethan-1-ol)

Chemical Property of Petrichloral

Chemical Property:

• Vapor Pressure: 8.03E-18mmHg at 25°C
• Melting Point: 52-54°
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 617.3°C at 760 mmHg
• Flash Point: 327.1°C
• PSA: 117.84000
• Density: 1.828g/cm³
• LogP: 4.79360
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 725.701899
• Heavy Atom Count: 33
• Complexity: 474

Purity/Quality:

99% ^*data from raw suppliers

PETRICHLORAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(COC(C(Cl)(Cl)Cl)O)(COC(C(Cl)(Cl)Cl)O)COC(C(Cl)(Cl)Cl)O)OC(C(Cl)(Cl)Cl)O

Technology Process of Petrichloral

There total 1 articles about Petrichloral 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:

Pentaerythritol (115-77-5) + chloral (75-87-6) → 1,3-bis-(2,2,2-trichloro-1-hydroxy-ethoxy)-2,2-bis-[(2,2,2-trichloro-1-hydroxy-ethoxy)-methyl]-propane (78-12-6)

Guidance literature:

at 140 ℃;

upstream raw materials:

Pentaerythritol

chloral