Acetato di pentafluorofenile - ≥98%(GC) , CAS No.19220-93-0

CAS: 19220-93-0 Cat. No.: P160765 Formula: C₈H₃F₅O₂ Peso molecolare: 226.1 Numero EC: 242-891-0 PubChem CID: 87968

GRADE & PURITY ≥98%(GC)

Synonyms

EINECS 242-891-0 | Perfluorophenyl acetate | Pentafluorophenyl acetate | MFCD00015552 | Phenol, 2,3,4,5,6-pentafluoro-, 1-acetate | DTXSID40172795 | SCHEMBL570928 | Pentafluorophenyl acetate, >=97.0% (GC) | UNII-TF9CWW5T7Q | NSC 168737 | FT-0717892 | AS-1

Storage

Argon charged,Room temperature

Shipped In

Normale

Specifications

Sinonimi

EINECS 242-891-0 | Perfluorophenyl acetate | Pentafluorophenyl acetate | MFCD00015552 | Phenol, 2,3,4,5,6-pentafluoro-, 1-acetate | DTXSID40172795 | SCHEMBL570928 | Pentafluorophenyl acetate, >=97.0% (GC) | UNII-TF9CWW5T7Q | NSC 168737 | FT-0717892 | AS-1

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 504755913
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755913
• Sorrisi canonici: CC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) acetate
• InChIKey: ZXTVBLZVILLKPM-UHFFFAOYSA-N
• INCHI: 1S/C8H3F5O2/c1-2(14)15-8-6(12)4(10)3(9)5(11)7(8)13/h1H3
• Isomeri SMILES: CC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
• WGK Germania: 3
• PubChem CID: 87968
• Peso molecolare: 226.1
• Reaxy-Rn: 1985849

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 Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Moisture sensitive
• Punto di infiammabilità (°C): 71 °C
• Punto di ebollizione (°C): 60°C
• Punto di fusione (°C): 30.0-34.0℃
• Peso molecolare: 226.100 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 226.005 Da
• Monoisotopic Mass: 226.005 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 233.000
• 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