Carbonic acid 1-phenylethylene ester - ≥95% , CAS No.4427-92-3

CAS: 4427-92-3 Cat. No.: P589136 Peso molecular: 164.16 Número EC: 858-944-1 PubChem CID: 234226

GRADE & PURITY ≥95%

Synonyms

SCHEMBL272449 | 1-Phenyl-1,2-ethylene carbonate | 4-Phenyl-1,3-dioxolan-2-one # | 4-phenyl-[1,3]dioxolan-2-one | EN300-216546 | Carbonic acid 1-phenylethylene ester | 1-phenylethylene carbonate | 1,3-Dioxolan-2-one, 4-phenyl- | BS-45801 | Cyclic phenyleth

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL272449 | 1-Phenyl-1, 2-ethylene carbonate | 4-Phenyl-1, 3-dioxolan-2-one # | 4-phenyl-[1, 3]dioxolan-2-one | EN300-216546 | Carbonic acid 1-phenylethylene ester | 1-phenylethylene carbonate | 1, 3-Dioxolan-2-one, 4-phenyl- | BS-45801 | Cyclic phenyleth

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1C(OC(=O)O1)C2=CC=CC=C2
• IUPAC Name: 4-phenyl-1,3-dioxolan-2-one
• InChIKey: ZKOGUIGAVNCCKH-UHFFFAOYSA-N
• INCHI: 1S/C9H8O3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2
• Isómeros SMILES: C1C(OC(=O)O1)C2=CC=CC=C2
• PubChem CID: 234226
• Número NSC: NSC Number': ['33703
• Peso molecular: 164.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Carbonic acid diesters 1,3-dioxolanes Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Carbonic acid diester - Monocyclic benzene moiety - Meta-dioxolane - Carbonic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Sensibilidad: Light sensitive
• Peso molecular: 164.160 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.047 Da
• Monoisotopic Mass: 164.047 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 173.000
• 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