bis(pentafluorophenyl)oxalate - ≥97% , CAS No.16536-48-4

CAS: 16536-48-4 Cat. No.: B132272 Fórmula: C₁₄F₁₀O₄ Peso molecular: 422.13

GRAU & PUREZA ≥97%

Synonyms

dipentafluorophenyl oxalate | PFPO | AKOS025311258 | HY-W127854 | MFCD00143774 | Bis(2,3,4,5,6-pentafluorophenyl) Oxalate | SCHEMBL516304 | A810635 | Bis(pentafluorophenyl)-oxalat | bis[2,3,4,5,6-pentakis(fluoranyl)phenyl] ethanedioate | AMY38246 | oxalic

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

dipentafluorophenyl oxalate | PFPO | AKOS025311258 | HY-W127854 | MFCD00143774 | Bis(2,3,4,5,6-pentafluorophenyl) Oxalate | SCHEMBL516304 | A810635 | Bis(pentafluorophenyl)-oxalat | bis[2,3,4,5,6-pentakis(fluoranyl)phenyl] ethanedioate | AMY38246 | oxalic

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504761288

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761288

Sorrisos canónicos

C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

IUPAC Name

bis(2,3,4,5,6-pentafluorophenyl) oxalate

InChIKey

YMTUYHWOWDFXOX-UHFFFAOYSA-N

INCHI

1S/C14F10O4/c15-1-3(17)7(21)11(8(22)4(1)18)27-13(25)14(26)28-12-9(23)5(19)2(16)6(20)10(12)24

SMILES isoméricas

C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

Peso molecular

422.13

Reaxy-Rn

2068395

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2068395&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenol esters Phenoxy compounds Fluorobenzenes Dicarboxylic acids and derivatives Aryl fluorides Carboxylic acid esters Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenol ester - Phenoxy compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

• Sensibilidade: Moisture sensitive
• Peso molecular: 422.130 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 5
• Exact Mass: 421.964 Da
• Monoisotopic Mass: 421.964 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 514.000
• 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?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 16536-48-4, the molecular formula is C14F10O4, and the molecular weight is 422.13 g/mol. InChIKey YMTUYHWOWDFXOX-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.