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

CAS: 59483-84-0 Cat. No.: D136414 Molecular Weight: 394.12 Beilstein Registry Number: 2029730 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504761208
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761208
• Canonical Smiles: 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
• Isomeric SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in chloroform, ethyl acetate and methylene chloride.
• Sensitivity: air sensitive
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Melt Point(°C): 48-52°C
• Molecular Weight: 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