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

CAS: 65530-66-7 Cat. No.: Z122281 Número EC: 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

Sinónimos

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

Especificaciones y pureza

average Mn~534

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 504757524
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757524
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(=C)C(=O)OCCC(F)(F)F
• WGK Alemania: 3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 210-350°C
• Punto de fusión (°C): 50-60°C
• Peso molecular: 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