Formiato de fenilo - ≥95% , CAS No.1864-94-4

CAS: 1864-94-4 Cat. No.: P305264 Fórmula: C₇H₆O₂ Peso molecular: 122.12 Número CE: 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

Temperatura ambiente,Dessecado

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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Temperatura ambiente,Dessecado

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488184954

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

PubChem CID

74626

Peso molecular

122.12

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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 ação

Propriedades químicas e físicas

• Solubilidade: immiscible with water, alcohol, ether and benzene
• Índice de refração: 1.512
• Ponto de inflamação (°F): 159°F
• Ponto de inflamação (°C): 52.6°C
• Ponto de ebulição (°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

Perguntas frequentes

How should this product be stored?

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