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:

97% ^*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:

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

methylidenecyclobutane

2-Methyl-1-butene

spiropentane

Refernces

THE 7,8-EPOXY2,3,5,6-TETRAKIS(METHYLENE)BICYCLO<2.2.2>OCTANE; SYNTHESIS AND DIELS-ALDER REACTIVITY

10.1016/0040-4020(80)85037-X

The study focuses on the synthesis and reactions of various chemical compounds, primarily involving the transformation of different isomers and the creation of new compounds through specific chemical reactions. Key chemicals include tetrachloride (TCE), which is used in cycloaddition reactions with dienes like 5 to form adducts such as 16 and 17. The study explores the reactivity and selectivity of these compounds under different conditions, such as varying solvents and the presence of bases like CsF. Other chemicals like dimethyl acetylenedicarboxylate (DAD) and dimethyl fumarate are also used in cycloaddition reactions with 5, yielding different products like 19 and 22. The study investigates the influence of steric and electronic factors on the reactivity and selectivity of these reactions, utilizing techniques like NMR and IR spectroscopy to analyze the structures and properties of the synthesized compounds.