1H,1H-Perfluoro-3,6,9-trioxadecan-1-ol - ≥97% , CAS No.147492-57-7

CAS: 147492-57-7 Cat. No.: H331326 Peso molecular: 398.08 Número EC: 671-184-3

GRADE & PURITY ≥97%

Synonyms

Fluorinated triethylene glycol monomethyl ether | MFCD00156026 | SCHEMBL868449 | AKOS015910983 | 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy)ethoxy)ethanol | FT-0643405 | ETHANOL,2,2-DIFLUORO-2-[1,1,2,2-TETRAFLUOR

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

Fluorinated triethylene glycol monomethyl ether | MFCD00156026 | SCHEMBL868449 | AKOS015910983 | 2, 2-difluoro-2-(1, 1, 2, 2-tetrafluoro-2-(1, 1, 2, 2-tetrafluoro-2-(trifluoromethoxy)ethoxy)ethoxy)ethanol | FT-0643405 | ETHANOL, 2, 2-DIFLUORO-2-[1, 1, 2, 2-TETRAFLUOR

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193771
• Sonrisas canónicas: C(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• IUPAC Name: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethanol
• InChIKey: PGUFRYZQAPBGDW-UHFFFAOYSA-N
• INCHI: 1S/C7H3F13O4/c8-2(9,1-21)22-3(10,11)4(12,13)23-5(14,15)6(16,17)24-7(18,19)20/h21H,1H2
• Isómeros SMILES: C(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• Peso molecular: 398.08
• Reaxy-Rn: 13843120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13843120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trihalomethanes
• Alternative Parents: Fluorohydrins Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trihalomethane - Halohydrin - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• 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

• Índice de refracción: n20D1.30 (Predicted)
• Punto de ebullición (°C): 140-142° C
• Peso molecular: 398.070 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 397.982 Da
• Monoisotopic Mass: 397.982 Da
• Topological Polar Surface Area: 47.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 431.000
• 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