Bis(pentafluorophenyl) carbonate(DPFPC) - ≥98%(GC) , CAS No.59483-84-0

CAS: 59483-84-0 Cat. No.: D136414 Summenformel: C₁₃F₁₀O₃ Molekulargewicht: 394.12 Beilstein Registry Number: 2029730 EG-Nummer: 671-619-7

GRADE & PURITY ≥98%(GC)

Synonyms

bis(perfluorophenyl)carbonate | IOVVFSGCNWQFQT-UHFFFAOYSA-N | Pentafluorophenyl carbonate | SCHEMBL34317 | BBL100135 | Bis(pentafluorophenyl) carbonate, 97% | Bis(pentafluorophenyl) carbonate | Bis(pentafluorophenyl)carbonate | B3604 | BP-31253 | Dipentaf

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Bis(pentafluorophenyl) carbonate is the equivalent of carbonyl compound generally used in coupling reactions. It is used as a reagent in the preparation of azapeptides.

Specifications

Synonyme

bis(perfluorophenyl)carbonate | IOVVFSGCNWQFQT-UHFFFAOYSA-N | Pentafluorophenyl carbonate | SCHEMBL34317 | BBL100135 | Bis(pentafluorophenyl) carbonate, 97% | Bis(pentafluorophenyl) carbonate | Bis(pentafluorophenyl)carbonate | B3604 | BP-31253 | Dipentaf

Spezifikationen & Reinheit

≥98%(GC)

Anmeldung

Bis(pentafluorophenyl) carbonate can be used in the preparation of: A cyclic carbonate named 6,6′-(ethane-1,2-diyl)bis(1,3,6-dioxazocan-2-one), which is a key intermediate for the synthesis of non-isocyanate polyurethanes. A coumarin based aliphatic polyc

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

504761208

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761208

Kanonisches Lächeln

C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

IUPAC Name

bis(2,3,4,5,6-pentafluorophenyl) carbonate

InChIKey

IOVVFSGCNWQFQT-UHFFFAOYSA-N

INCHI

1S/C13F10O3/c14-1-3(16)7(20)11(8(21)4(1)17)25-13(24)26-12-9(22)5(18)2(15)6(19)10(12)23

Isomere SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

WGK Deutschland

3

Molekulargewicht

394.12

Beilstein

2029730

Reaxy-Rn

2029727

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2029727&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Fluorobenzenes Carbonic acid diesters Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Halobenzene - Fluorobenzene - Carbonic acid diester - Aryl halide - Aryl fluoride - Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in chloroform, ethyl acetate and methylene chloride.
• Empfindlichkeit: air sensitive
• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): 110 °C
• Schmelzpunkt (°C): 48-52°C
• Molekulargewicht: 394.120 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 393.969 Da
• Monoisotopic Mass: 393.969 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 439.000
• 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