Pentafluorophenyl Diphenylphosphinate - CAS 138687-69-1
Catalog: |
BB008826 |
Product Name: |
Pentafluorophenyl Diphenylphosphinate |
CAS: |
138687-69-1 |
Synonyms: |
Phosphinic acid, diphenyl-, pentafluorophenyl ester; Phosphinic acid, P,P-diphenyl-, 2,3,4,5,6-pentafluorophenyl ester; FDPP; ACMC-1BXXT; Diphenylphosphinic acid pentafluorophenyl ester; SCHEMBL863602; Pentafluorophenyldiphenylphosphinate |
IUPAC Name: | 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene |
Description: | Pentafluorophenyl Diphenylphosphinate is a reagent used as carboxyl activating group and a coupling agent in variety of amide bond formations. |
Molecular Weight: | 384.24 |
Molecular Formula: | C18H10F5O2P |
Canonical SMILES: | C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)OC3=C(C(=C(C(=C3F)F)F)F)F |
InChI: | InChI=1S/C18H10F5O2P/c19-13-14(20)16(22)18(17(23)15(13)21)25-26(24,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H |
InChI Key: | OOWSDKUFKGVADH-UHFFFAOYSA-N |
Boiling Point: | 413.1±55.0 °C (Predicted) |
Melting Point: | 47-50 °C |
Purity: | 98 % (HPLC) |
Density: | 1.450 g/cm3 (Predicted) |
Appearance: | White to yellow powder or crystals |
LogP: | 4.69000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22640170 | 20120620 | Systematic investigation of benzodithiophene- and diketopyrrolopyrrole-based low-bandgap polymers designed for single junction and tandem polymer solar cells | Journal of the American Chemical Society |
17571182 | 20070521 | Synthesis of libraries of thiazole, oxazole and imidazole-based cyclic peptides from azole-based amino acids. A new synthetic approach to bistratamides and didmolamides | Organic & biomolecular chemistry |
Complexity: | 472 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 384.03385737 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 384.03385737 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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