Pentafluorophenyl Acrylate(PFPA) - ≥98%(GC) , CAS No.71195-85-2

CAS: 71195-85-2 Cat. No.: P160171 Molecular Weight: 238.11 EC Number: 690-440-5 PubChem CID: 2775973

GRADE & PURITY ≥98%(GC)

Synonyms

2-Propenoic acid,2,3,4,5,6-pentafluorophenyl ester | Acrylic Acid Pentafluorophenyl Ester | Pentafluorophenyl acrylate, contaning 100ppm MEHQ inhibitor | Pentafluorophenyl acrylate, contains <200 ppm monomethyl ether hydroquinone as inhibitor, 98% | SCHEM

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-Propenoic acid, 2, 3, 4, 5, 6-pentafluorophenyl ester | Acrylic Acid Pentafluorophenyl Ester | Pentafluorophenyl acrylate, contaning 100ppm MEHQ inhibitor | Pentafluorophenyl acrylate, contains <200 ppm monomethyl ether hydroquinone as inhibitor, 98% | SCHEM

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504761921
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761921
• Canonical Smiles: C=CC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) prop-2-enoate
• InChIKey: RFOWDPMCXHVGET-UHFFFAOYSA-N
• INCHI: 1S/C9H3F5O2/c1-2-3(15)16-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1H2
• Isomeric SMILES: C=CC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
• PubChem CID: 2775973
• Molecular Weight: 238.11
• Reaxy-Rn: 2384629

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 Acrylic acid esters Enoate 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 - Acrylic acid ester - Aryl halide - Monocyclic benzene moiety - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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

• Sensitivity: Heat sensitive；Moisture sensitive
• Refractive Index: 1.43
• Flash Point(°C): 68°C
• Boil Point(°C): 197 °C
• Molecular Weight: 238.110 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 238.005 Da
• Monoisotopic Mass: 238.005 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 269.000
• 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