Pentafluorophenyl Methacrylate (stabilized with MEHQ) - ≥97%(GC) , CAS No.13642-97-2

CAS: 13642-97-2 Cat. No.: P160385 Molecular Weight: 252.14 EC Number: 688-419-0 PubChem CID: 193480

GRADE & PURITY ≥97%(GC)

Synonyms

MS-20318 | J-006844 | NIJWSVFNELSKMF-UHFFFAOYSA-N | 2-Propenoic acid, 2-methyl-, pentafluorophenyl ester | MFCD00042332 | Pentafluorophenyl Methacrylate, >/=97%,stabilized with MEHQ | DTXSID00159784 | BBL101899 | (2,3,4,5,6-pentafluorophenyl) 2-methylprop

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

The PFP unit acts as an activated ester for coupling (esterification/amidation) reactions. This is also a monomer for low refractive index polymers (n ~1.40).

Specifications

Synonyms

MS-20318 | J-006844 | NIJWSVFNELSKMF-UHFFFAOYSA-N | 2-Propenoic acid, 2-methyl-, pentafluorophenyl ester | MFCD00042332 | Pentafluorophenyl Methacrylate, >/=97%, stabilized with MEHQ | DTXSID00159784 | BBL101899 | (2, 3, 4, 5, 6-pentafluorophenyl) 2-methylprop

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504757767
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757767
• Canonical Smiles: CC(=C)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2-methylprop-2-enoate
• InChIKey: NIJWSVFNELSKMF-UHFFFAOYSA-N
• INCHI: 1S/C10H5F5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1H2,2H3
• Isomeric SMILES: CC(=C)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
• PubChem CID: 193480
• Molecular Weight: 252.14
• Reaxy-Rn: 6519209

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 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 - Aryl halide - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 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

• Sensitivity: Heat Sensitive
• Refractive Index: 1.44
• Flash Point(°C): 77 °C
• Molecular Weight: 252.140 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 252.021 Da
• Monoisotopic Mass: 252.021 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 306.000
• 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