PENTAERYTHRITYL TETRACHLORIDE

Base Information

• Chemical Name: PENTAERYTHRITYL TETRACHLORIDE
• CAS No.: 3228-99-7
• Molecular Formula: C5H8Cl4
• Molecular Weight: 209.931
• Hs Code.: 2903199000
• European Community (EC) Number: 221-763-8
• NSC Number: 408644,405471
• UNII: CHR4T8ZQS6
• DSSTox Substance ID: DTXSID90186029
• Nikkaji Number: J13.026E
• Wikidata: Q83057212
• Mol file: 3228-99-7.mol

Synonyms:2,2-Bis(chloromethyl)-1,3-dichloropropane;NSC 405471;NSC 408644;Pentaerythritol tetrachloride;Pentaerythrityl tetrachloride;Tetrachloride;Tetrakis(chloromethyl)methane;1,3-dichloro-2,2-bis(chloromethyl)propane;propane, 1,3-dichloro-2,2-bis(chloromethyl)-;

Chemical Property of PENTAERYTHRITYL TETRACHLORIDE

Chemical Property:

• Appearance/Colour: light beige fluffy powder
• Vapor Pressure: 0.0859mmHg at 25°C
• Melting Point: 94-96°C(lit.)
• Refractive Index: 1.48
• Boiling Point: 233.3 °C at 760 mmHg
• Flash Point: 94.8 °C
• PSA: 0.00000
• Density: 1.34 g/cm³
• LogP: 2.92800
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 209.935061
• Heavy Atom Count: 9
• Complexity: 51.8

Purity/Quality:

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

Pentaerythrityl Tetrachloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CCl)(CCl)CCl)Cl
• Uses: Neopentyl bromide and pentaerythrityl tetrachloride were shown here to be non-mutagenic to 7 strains of Salmonella typhimurium.

Technology Process of PENTAERYTHRITYL TETRACHLORIDE

There total 21 articles about PENTAERYTHRITYL TETRACHLORIDE 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: 87.2%

5,5'-spirobi<2-thia-1,3-dioxane> 2,2'-dioxide (3670-93-7) → pentaerythrityl tetrachloride (3228-99-7)

Guidance literature:

With thionyl chloride; In chloroform; N,N-dimethyl-formamide; at 50 ℃; for 2h;

Reference yield: 76.0%

5,5-dichloromethyl-2-thia-1,3-dioxane 2-oxide (2210-05-1) → pentaerythrityl tetrachloride (3228-99-7)

Guidance literature:

With thionyl chloride; In pyridine; at 40 ℃;

Reference yield:

Pentaerythritol (115-77-5) → pentaerythrityl tetrachloride (3228-99-7)

Guidance literature:

With phosphorus pentachloride; at 150 ℃;

upstream raw materials:

diazomethane

tetrachloromethane

pyridine

Pentaerythritol

Downstream raw materials:

methylidenecyclobutane

2-Methyl-1-butene

spiropentane

2,3,7,8-tetrathia-5-spirononane

Refernces

• 1、 Thomson. "Generation of radical species in surface reactions of chlorohydrocarbons and chlorocarbons with fluorinated gallium(III) oxide or indium(III) oxide". . p. 1881 - 1885. Retrieved 2007/10/03.
• 2、 Ameduri, Bruno,Boutevin, Bernard,Karam, Lina. "Synthesis and properties of poly". . p. 43 - 48. Retrieved 2007/10/02.