GRADE & PURITY ≥95%

Synonyms

SCHEMBL8506035 | AKOS025311284 | 2,2,4,4,6,6-Hexakis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene | MFCD00798143

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL8506035 | AKOS025311284 | 2, 2, 4, 4, 6, 6-Hexakis(2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7-dodecafluoroheptoxy)-1, 3, 5-triaza-2lambda5, 4lambda5, 6lambda5-triphosphacyclohexa-1, 3, 5-triene | MFCD00798143

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• InChIKey: LKVZJNTYGYODLD-UHFFFAOYSA-N
• INCHI: 1S/C42H18F72N3O6P3/c43-7(44)19(67,68)31(91,92)37(103,104)25(79,80)13(55,56)1-118-124(119-2-14(57,58)26(81,82)38(105,106)32(93,94)20(69,70)8(45)46)115-125(120-3-15(59,60)27(83,84)39(107,108)33(95,96)21(71,72)9(47)48,121-4-16(61,62)28(85,86)40(109,110)34(97,98)22(73,74)10(49)50)117-126(116-124,122-5-17(63,64)29(87,88)41(111,112)35(99,100)23(75,76)11(51)52)123-6-18(65,66)30(89,90)42(113,114)36(101,102)24(77,78)12(53)54/h7-12H,1-6H2
• Isómeros SMILES: C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• PubChem CID: 2775073
• Peso molecular: 2121.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Organooxygen compounds Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
• 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: light sensitive
• Punto de fusión (°C): 47-51 °C
• Peso molecular: 2121.400 g/mol
• XLogP3: 26.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 81
• Rotatable Bond Count: 48
• Exact Mass: 2120.93 Da
• Monoisotopic Mass: 2120.93 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 126
• Formal Charge: 0
• Complexity: 3280.000
• 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