Phenyl formate - ≥95% , CAS No.1864-94-4

CAS: 1864-94-4 Cat. No.: P305264 Fórmula: C₇H₆O₂ Peso molecular: 122.12 Número EC: 217-471-5 PubChem CID: 74626

GRADE & PURITY ≥95%

Synonyms

MFCD00014126 | A903886 | SCHEMBL2662 | P2770 | Formic acid, phenyl ester | PHENYL FORMATE | Phenyl formate, >=98.0% (GC) | EN300-7099473 | UNII-V4EL38P3VW | BDBM50152732 | V4EL38P3VW | SY106351 | DTXSID30171898 | AS-56569 | BAA86494 | FT-0633884 | Formic

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

MFCD00014126 | A903886 | SCHEMBL2662 | P2770 | Formic acid, phenyl ester | PHENYL FORMATE | Phenyl formate, >=98.0% (GC) | EN300-7099473 | UNII-V4EL38P3VW | BDBM50152732 | V4EL38P3VW | SY106351 | DTXSID30171898 | AS-56569 | BAA86494 | FT-0633884 | Formic

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

488184954

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184954

Sonrisas canónicas

C1=CC=C(C=C1)OC=O

IUPAC Name

phenyl formate

InChIKey

GEOWCLRLLWTHDN-UHFFFAOYSA-N

INCHI

1S/C7H6O2/c8-6-9-7-4-2-1-3-5-7/h1-6H

Isómeros SMILES

C1=CC=C(C=C1)OC=O

PubChem CID

74626

Peso molecular

122.12

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: immiscible with water, alcohol, ether and benzene
• Índice de refracción: 1.512
• Punto de inflamación (°F): 159°F
• Punto de inflamación (°C): 52.6°C
• Punto de ebullición (°C): 165.2°C at 760 mmHg
• Peso molecular: 122.120 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 122.037 Da
• Monoisotopic Mass: 122.037 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 84.900
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.