2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl Methacrylate (stabilized with TBC) - ≥96%, mixture of isomers , CAS No.2261-99-6

CAS: 2261-99-6 Cat. No.: D301595 Peso molecular: 400.16 Número EC: 218-863-9

GRADE & PURITY ≥96%, mixture of isomers

Synonyms

2261-99-6|1H,1H,7H-Dodecafluoroheptyl methacrylate|2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl methacrylate|1H,1H,7H-Perfluoroheptyl methacrylate|2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 2-methylprop-2-enoate|1H,1H,7H-DODECAFLUOROHEPTYLMETHACRYLATE|(6H-P

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2261-99-6 | 1H, 1H, 7H-Dodecafluoroheptyl methacrylate | 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7-Dodecafluoroheptyl methacrylate | 1H, 1H, 7H-Perfluoroheptyl methacrylate | 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7-dodecafluoroheptyl 2-methylprop-2-enoate | 1H, 1H, 7H-DODECAFLUOROHEPTYLMETHACRYLATE | (6H-P

Especificaciones y pureza

≥96%, mixture of isomers

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488187294
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187294
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(=C)C(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Peso molecular: 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
    • 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

• Sensibilidad: heat sensitive
• Índice de refracción: 1.35
• Punto de inflamación (°F): 104°C
• Punto de inflamación (°C): 104°C
• Punto de ebullición (°C): 112°C
• Peso molecular: 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

Referencias

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]