2,2,3,3-Tetrafluoropropyl methacrylate - ≥97%, stabilized with 50ppm BHT , CAS No.45102-52-1

CAS: 45102-52-1 Cat. No.: T110100 Molecular Weight: 200.13 EC Number: 256-189-7 PubChem CID: 123515

GRADE & PURITY ≥97%, stabilized with 50ppm BHT

Synonyms

539HCC6WL9 | EINECS 256-189-7 | 2-Propenoic acid, 2-methyl-, 2,2,3,3-tetrafluoropropyl ester | 2,2,3,3-Tetrafluoropropyl methacrylate, 99% | AS-17519 | FT-0609085 | 2,2,3,3-Tetrafluoropropyl Methacrylate, [stabilized with 2,2'-Methylenebis(6-tert-butyl-4-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

539HCC6WL9 | EINECS 256-189-7 | 2-Propenoic acid, 2-methyl-, 2, 2, 3, 3-tetrafluoropropyl ester | 2, 2, 3, 3-Tetrafluoropropyl methacrylate, 99% | AS-17519 | FT-0609085 | 2, 2, 3, 3-Tetrafluoropropyl Methacrylate, [stabilized with 2, 2'-Methylenebis(6-tert-butyl-4-

Specifications & Purity

≥97%, stabilized with 50ppm BHT

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=C)C(=O)OCC(C(F)F)(F)F
• IUPAC Name: 2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate
• InChIKey: RSVZYSKAPMBSMY-UHFFFAOYSA-N
• INCHI: 1S/C7H8F4O2/c1-4(2)5(12)13-3-7(10,11)6(8)9/h6H,1,3H2,2H3
• Isomeric SMILES: CC(=C)C(=O)OCC(C(F)F)(F)F
• PubChem CID: 123515
• UN Number: 3272
• Molecular Weight: 200.13
• Reaxy-Rn: 3588831

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

• Refractive Index: 1.373
• Flash Point(°F): 123.8 °F
• Flash Point(°C): 51 °C
• Boil Point(°C): 124°C
• Molecular Weight: 200.130 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 200.046 Da
• Monoisotopic Mass: 200.046 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 213.000
• 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

References

1. Zuowei Zhang, Xian He, Luoning Zhang, Jianjun Xu, Baohua Yuan, Chao Chen, Cheng Zou, Qian Wang, Yanzi Gao, Meina Yu, Huai Yang.  (2023)  A novel low-voltage fast-response electrically controlled dimming film based on fluorinated PDLC for smart window applications.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.147668]

2. Jie Yu, Hongping Quan, Shihao Chang, Zhiyu Huang.  (2023)  Research on a fluorine-containing asphaltene dispersant and its application in improving the fluidity of heavy oil.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.121318]