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

CAS: 4427-96-7 Cat. No.: V107647 분자식: C₅H₆O₃ 분자량: 114.1 EC 번호: 700-261-7 PubChem CID: 2735038

GRADE & PURITY ≥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

개요

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.

Specifications

동의어

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

사양 및 순도

≥99%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥99%

이름과 식별자

Pubchem Sid

488192697

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

C=CC1COC(=O)O1

WGK 독일

1

PubChem CID

2735038

UN 번호

2810

포장 그룹

III

분자량

114.1

Reaxy-Rn

108469

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Insoluble in water.
• 감도: Heat sensitive
• 굴절률: 1.45
• 발화점(°F): 204.8 °F
• 발화점(°C): 97 °C
• 끓는점(°C): 237°C
• 분자량: 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