Pentaerythrityl Tetrabromide - ≥98%(GC) , CAS No.3229-00-3

CAS: 3229-00-3 Cat. No.: P160569 Peso molecular: 387.74 Beilstein Registry Number: 1679280 Número EC: 221-764-3 PubChem CID: 76701

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00000210 | Pentaerythrit-tetrabromid | SY050984 | P0752 | 1,3-Benzenedisulfonicacid, 4-hydroxy- | 1,3-Dibromo-2,2-bis(bromomethyl)propane | AKOS005146228 | FT-0634733 | Propane,3-dibromo-2,2-bis(bromomethyl)- | SCHEMBL432313 | Pentaerythrityl tetrabro

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00000210 | Pentaerythrit-tetrabromid | SY050984 | P0752 | 1, 3-Benzenedisulfonicacid, 4-hydroxy- | 1, 3-Dibromo-2, 2-bis(bromomethyl)propane | AKOS005146228 | FT-0634733 | Propane, 3-dibromo-2, 2-bis(bromomethyl)- | SCHEMBL432313 | Pentaerythrityl tetrabro

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488185314
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185314
• Sonrisas canónicas: C(C(CBr)(CBr)CBr)Br
• IUPAC Name: 1,3-dibromo-2,2-bis(bromomethyl)propane
• InChIKey: OYSVBCSOQFXYHK-UHFFFAOYSA-N
• INCHI: 1S/C5H8Br4/c6-1-5(2-7,3-8)4-9/h1-4H2
• Isómeros SMILES: C(C(CBr)(CBr)CBr)Br
• WGK Alemania: 3
• PubChem CID: 76701
• Peso molecular: 387.74
• Beilstein: 1679280
• Reaxy-Rn: 1679275

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine 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; Degree of Solubility in water: 1.6 mg/l
• Punto de ebullición (°C): 306 °C
• Punto de fusión (°C): 161 °C
• Peso molecular: 387.730 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 387.732 Da
• Monoisotopic Mass: 383.736 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. Balaji Panchal, Yuzhuang Sun, Cunliang Zhao, Bangjun Liu, Kai Bian, Jinxi Wang, Qiaojing Zhao.  (2024)  Green fuel production from waste fried sunflower oil using reusable mesoporous COP-KOH catalyst with a kinetic study.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.125258]