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

CAS: 3228-99-7 Cat. No.: P138670 Peso molecular: 209.92 Beilstein Registry Number: 1(4)336 Número EC: 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

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: 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
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Punto de ebullición (°C): 110°C/12mmHg
• Punto de fusión (°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

Referencias

1. Tianlong Yu, Shixiang Lu, Wenguo Xu.  (2018)  A reliable filter for oil-water separation: Bismuth coated superhydrophobic/superoleophilic iron mesh.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2018.07.305]

2. Yuze Zhou, Qian Feng, Ruipeng Huang, Zhigang Liu, Jiaying Lei, Yumeng Wang, Dongyan Tang.  (2024)  A Strategy of End Anchoring to Poly(N-isopropylacrylamide) Chains for the Thermo-Driven Controllable Oil–Water Separation.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c03084]

3. Shuofan Li, Jianxun Wu, Yidi Wang, Yunyun Li, Weilai Zhang, Yahe Zhang, Kaiyuan He, Chuxuan Cai, Gangyue Bian, Hangzhou Wang, Ye Ji, Quan Shi.  (2022)  Semi-quantitative analysis of molecular composition for petroleum fractions using electrospray ionization high-resolution mass spectrometry.  FUEL,      [PMID:] [10.1016/j.fuel.2022.127049]