Vinylethylene carbonate(VEC) - ≥99% , CAS No.4427-96-7

CAS: 4427-96-7 Cat. No.: V107647 Fórmula: C₅H₆O₃ Peso molecular: 114.1 Número CE: 700-261-7 PubChem CID: 2735038

GRAU & PUREZA ≥99%

Synonyms

VEC | 2-Oxo-4-vinyl-1,3-dioxolane | 4-Vinyl-1,3-dioxolan-2-one

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

4-Vinyl-1,3-dioxolan-2-one (VEC) is a cyclic carbonate, that can be synthesized from acrolein by reacting with sulfur ylide and CO2.The ruthenium-catalyzed transfer hydrogenation (TH) of VEC in the presence of 2-propanol forms 1,2-butanediol.Indolines and indoles undergo selective C-H allylation with VEC in the presence of rhodium(III) catalyst.

Especificações

Sinónimos

VEC | 2-Oxo-4-vinyl-1,3-dioxolane | 4-Vinyl-1,3-dioxolan-2-one

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488192697

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192697

Sorrisos canónicos

C=CC1COC(=O)O1

IUPAC Name

4-ethenyl-1,3-dioxolan-2-one

InChIKey

BJWMSGRKJIOCNR-UHFFFAOYSA-N

INCHI

1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2

SMILES isoméricas

C=CC1COC(=O)O1

WGK Alemanha

1

PubChem CID

2735038

Número UN

2810

Grupo de embalagem

III

Peso molecular

114.1

Reaxy-Rn

108469

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Carbonic acid diester - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional group.
• 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.
• Sensibilidade: Heat sensitive
• Índice de refração: 1.45
• Ponto de inflamação (°F): 204.8 °F
• Ponto de inflamação (°C): 97 °C
• Ponto de ebulição (°C): 237°C
• Peso molecular: 114.100 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 114.032 Da
• Monoisotopic Mass: 114.032 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1