2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl Methacrylate (stabilized with TBC) - ≥97%(GC) , CAS No.2261-99-6

CAS: 2261-99-6 Cat. No.: D154894 Molecular Weight: 400.16 EC Number: 218-863-9

GRADE & PURITY ≥97%(GC)

Synonyms

2-methyl-acrylic acid 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-heptyl ester | STL557553 | 1H,1H,7H-DODECAFLUOROHEPTYLMETHACRYLATE | (6H-Perfluorohexyl)methyl methacrylate | EINECS 218-863-9 | MFCD00080658 | 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl methacryl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-methyl-acrylic acid 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7-dodecafluoro-heptyl ester | STL557553 | 1H, 1H, 7H-DODECAFLUOROHEPTYLMETHACRYLATE | (6H-Perfluorohexyl)methyl methacrylate | EINECS 218-863-9 | MFCD00080658 | 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7-Dodecafluoroheptyl methacryl

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

• Canonical Smiles: CC(=C)C(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 2-methylprop-2-enoate
• InChIKey: YJKHMSPWWGBKTN-UHFFFAOYSA-N
• INCHI: 1S/C11H8F12O2/c1-4(2)5(24)25-3-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(12)13/h6H,1,3H2,2H3
• Isomeric SMILES: CC(=C)C(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Molecular Weight: 400.16
• Reaxy-Rn: 2305962
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2305962&ln=

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

• Sensitivity: heat sensitive
• Refractive Index: 1.35
• Flash Point(°F): 104°C
• Flash Point(°C): 104°C
• Boil Point(°C): 112°C
• Molecular Weight: 400.160 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 9
• Exact Mass: 400.033 Da
• Monoisotopic Mass: 400.033 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 525.000
• 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. Penghao Zhang, Cheng Zhang, Chuansheng Zhang, Fei Kong, Ping Yan, Tao Shao.  (2020)  Low-temperature plasma polymerized fluorocarbon coating promotes surface charge dissipation in polystyrene.  NANOTECHNOLOGY,  32  (12): (125703).  [PMID:33382042] [10.1088/1361-6528/abcfe9]

2. Zhentao Li, Zhenkun Mao, Changjun Hu, Qiaoyan Li, Zilin Chen.  (2020)  Fluoro-functionalized stationary phases for electrochromatographic separation of organic fluorides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32709321] [10.1016/j.chroma.2020.461269]

3. Tao Yu, Jiangjiexing Wu, Yuhe Shen, Anastasia Penkova, Wei Qi, Rongxin Su.  (2024)  Transparent coating based on multienzyme-mimicking Janus nanozyme for synergetic biofouling control in seawater.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.155144]

4. Wei-Long Bi, An Tang, Yu Tian, Zhijie Zhu, Su Chen.  (2024)  Robust and Durable Photonic Crystal with Liquid-Repellent Property for Self-Cleaning Coatings and Structural Colored Textiles.  ACS Applied Materials & Interfaces,      [PMID:38916253] [10.1021/acsami.4c09497]