Pentaerythrityl Tetrachloride - ≥98%(GC) , CAS No.3228-99-7

CAS: 3228-99-7 Cat. No.: P138670 Fórmula: C₅H₈Cl₄ Peso molecular: 209.92 Beilstein Registry Number: 1(4)336 Número CE: 221-763-8 PubChem CID: 76700

GRADE & PURITY ≥98%(GC)

Synonyms

NSC405471 | NSC-405471 | STL453713 | A24648 | DTXSID90186029 | NSC 405471 | Pentaerythritol tetrachloride | FT-0634732 | Methane, tetrakis(chloromethyl)-;pentaerythritoltetrachloride;Propane, 1,3-dichloro-2,2-bis(chloromethyl)- | MFCD00018913 | UNII-CHR4T

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC405471 | NSC-405471 | STL453713 | A24648 | DTXSID90186029 | NSC 405471 | Pentaerythritol tetrachloride | FT-0634732 | Methane, tetrakis(chloromethyl)-;pentaerythritoltetrachloride;Propane, 1,3-dichloro-2,2-bis(chloromethyl)- | MFCD00018913 | UNII-CHR4T

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Sorrisos canónicos

C(C(CCl)(CCl)CCl)Cl

IUPAC Name

1,3-dichloro-2,2-bis(chloromethyl)propane

InChIKey

KPZGRMZPZLOPBS-UHFFFAOYSA-N

INCHI

1S/C5H8Cl4/c6-1-5(2-7,3-8)4-9/h1-4H2

SMILES isoméricas

C(C(CCl)(CCl)CCl)Cl

PubChem CID

76700

Peso molecular

209.92

Beilstein

1(4)336

Reaxy-Rn

1698943

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Solubilidade: Insoluble in water.
• Ponto de ebulição (°C): 110°C/12mmHg
• Ponto de fusão (°C): 95-98°C
• Peso molecular: 209.900 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 209.935 Da
• Monoisotopic Mass: 207.938 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 51.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3228-99-7, the molecular formula is C5H8Cl4, and the molecular weight is 209.92 g/mol. InChIKey KPZGRMZPZLOPBS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.