Pentafluorophenyl trifluoroacetate - ≥95%(GC) , CAS No.14533-84-7

CAS: 14533-84-7 Cat. No.: P138240 Fórmula: CF₃CO₂C₆F₅ Peso molecular: 280.07 Beilstein Registry Number: 2003848 Número CE: 629-320-4 PubChem CID: 4327891

GRADE & PURITY ≥95%(GC)

Synonyms

A808348 | DTXSID60401978 | pentafluorophenyltrifluoroacetate | pentafluorophenyl trifluoracetate | Pentafluorophenyl trfluoroacetate | Perfluorophenyl 2,2,2-trifluoroacetate | Acetic acid,2,2,2-trifluoro-, 2,3,4,5,6-pentafluorophenyl ester | CS0054 | H104

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

A808348 | DTXSID60401978 | pentafluorophenyltrifluoroacetate | pentafluorophenyl trifluoracetate | Pentafluorophenyl trfluoroacetate | Perfluorophenyl 2,2,2-trifluoroacetate | Acetic acid,2,2,2-trifluoro-, 2,3,4,5,6-pentafluorophenyl ester | CS0054 | H104

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

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

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

504762963

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762963

Sorrisos canónicos

C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C(F)(F)F

IUPAC Name

(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate

InChIKey

VCQURUZYYSOUHP-UHFFFAOYSA-N

INCHI

1S/C8F8O2/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16

SMILES isoméricas

C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C(F)(F)F

WGK Alemanha

3

PubChem CID

4327891

Número UN

3272

Grupo de embalagem

III

Peso molecular

280.07

Beilstein

2003848

Reaxy-Rn

2003848

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Fluorobenzenes Aryl fluorides Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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: Soluble in water at 122.5°Cat760mmHg.
• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.368
• Ponto de inflamação (°F): 126°F
• Ponto de inflamação (°C): 52°C
• Ponto de ebulição (°C): 122-123 °C
• Ponto de fusão (°C): 4°C
• Peso molecular: 280.070 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 279.977 Da
• Monoisotopic Mass: 279.977 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303.000
• 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

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14533-84-7, the molecular formula is C8F8O2, and the molecular weight is 280.07 g/mol. InChIKey VCQURUZYYSOUHP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.