1-Bromo-1,1,2,2,4,5,5,7,8,8,10,11,11,13,14,14,16,16,17,17,17-henicosafluoro-4,7,10,13-tetrakis(trifluoromethyl)-3,6,9,12,15-pentaoxaheptadecane - ≥94%(GC) , CAS No.1482416-52-3

CAS: 1482416-52-3 Cat. No.: B405684 Peso molecular: 979.02 PubChem CID: 91972086

GRADE & PURITY ≥94%(GC)

Synonyms

AKOS037621827 | B4167 | 1-Bromo-1,1,2,2,4,5,5,7,8,8,10,11,11,13,14,14,16,16,17,17,17-henicosafluoro-4,7,10,13-tetrakis(trifluoromethyl)-3,6,9,12,15-pentaoxaheptadecane | 1482416-52-3 | MFCD27918480 | 3,6,9,12,15-Pentaoxaheptadecane,1-bromo-1,1,2,2,4,5,5,7

Storage

Room temperature

Specifications

Sinónimos

AKOS037621827 | B4167 | 1-Bromo-1, 1, 2, 2, 4, 5, 5, 7, 8, 8, 10, 11, 11, 13, 14, 14, 16, 16, 17, 17, 17-henicosafluoro-4, 7, 10, 13-tetrakis(trifluoromethyl)-3, 6, 9, 12, 15-pentaoxaheptadecane | 1482416-52-3 | MFCD27918480 | 3, 6, 9, 12, 15-Pentaoxaheptadecane, 1-bromo-1, 1, 2, 2, 4, 5, 5, 7

Especificaciones y pureza

≥94%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥94%(GC)

Nombres e identificadores

• Sonrisas canónicas: C(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)Br)(F)F)F)(F)F)F)(F)F)F
• IUPAC Name: 2-[2-[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxypropane
• InChIKey: VAXWUAHPDZRLAP-UHFFFAOYSA-N
• INCHI: 1S/C16BrF33O5/c17-5(22,23)15(47,48)54-3(20,8(30,31)32)13(43,44)52-1(18,6(24,25)26)11(39,40)51-2(19,7(27,28)29)12(41,42)53-4(21,9(33,34)35)14(45,46)55-16(49,50)10(36,37)38
• Isómeros SMILES: C(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)Br)(F)F)F)(F)F)F)(F)F)F
• PubChem CID: 91972086
• Peso molecular: 979.02

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 Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic 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

• Peso molecular: 979.020 g/mol
• XLogP3: 12.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 38
• Rotatable Bond Count: 15
• Exact Mass: 977.84 Da
• Monoisotopic Mass: 977.84 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1350.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1