2-(Perfluoroalkyl)ethyl methacrylate - average Mn~534 , CAS No.65530-66-7

CAS: 65530-66-7 Cat. No.: Z122281 EC Number: 688-286-9

GRADE & PURITY average Mn~534

Synonyms

65530-66-7|146188-32-1|2-Propenoic acid, 2-methyl-, 3,3,3-trifluoropropyl ester|3,3,3-trifluoropropyl 2-methylprop-2-enoate|SCHEMBL615661|DTXSID70873889|DCEGHEFYVNDALO-UHFFFAOYSA-N|3,3,3-trifluoropropyl methacrylate|AKOS005762901|FT-0699895

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

65530-66-7 | 146188-32-1 | 2-Propenoic acid, 2-methyl-, 3, 3, 3-trifluoropropyl ester | 3, 3, 3-trifluoropropyl 2-methylprop-2-enoate | SCHEMBL615661 | DTXSID70873889 | DCEGHEFYVNDALO-UHFFFAOYSA-N | 3, 3, 3-trifluoropropyl methacrylate | AKOS005762901 | FT-0699895

Specifications & Purity

average Mn~534

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504757524
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757524
• Canonical Smiles: CC(=C)C(=O)OCCC(F)(F)F
• IUPAC Name: 3,3,3-trifluoropropyl 2-methylprop-2-enoate
• InChIKey: DCEGHEFYVNDALO-UHFFFAOYSA-N
• INCHI: 1S/C7H9F3O2/c1-5(2)6(11)12-4-3-7(8,9)10/h1,3-4H2,2H3
• Isomeric SMILES: CC(=C)C(=O)OCCC(F)(F)F
• WGK Germany: 3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
• 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

• Boil Point(°C): 210-350°C
• Melt Point(°C): 50-60°C
• Molecular Weight: 182.140 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 182.055 Da
• Monoisotopic Mass: 182.055 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 184.000
• 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