Pentafluorophenyl Acetate - ≥98%(GC) , CAS No.19220-93-0

CAS: 19220-93-0 Cat. No.: P160765 Formula: C₈H₃F₅O₂ Molecular Weight: 226.1 EC Number: 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

Normal

Specifications

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

Specifications & Purity

≥98%(GC)

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

504755913

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755913

Canonical Smiles

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

Isomeric SMILES

CC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

WGK Germany

3

PubChem CID

87968

Molecular Weight

226.1

Reaxy-Rn

1985849

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Moisture sensitive
• x_flash_point_drop_centigrade: 71 °C
• x_boil_point_char: 60°C
• x_melt_point_char: 30.0-34.0℃
• Molecular Weight: 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

Frequently Asked Questions

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

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 19220-93-0, the molecular formula is C8H3F5O2, and the molecular weight is 226.1 g/mol. InChIKey ZXTVBLZVILLKPM-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.