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Pentafluorophenol

Basic information Description Reference Safety Supplier Related

Pentafluorophenol Basic information

Product Name:
Pentafluorophenol
Synonyms:
  • Pentafluorophenol, 99+% 10GR
  • Pentafluorophenol, 99+% 5GR
  • pentafluorophenol cation
  • PENTAFLUOROPHENOL FOR SYNTHESIS
  • Pentafluorophenol SynonyMs 2,3,4,5,6-Pentafluorophenol
  • Pentafluorophe
  • Pentafluorophenol ReagentPlus(R), >=99%
  • Pentafluorophenol Vetec(TM) reagent grade, 98%
CAS:
771-61-9
MF:
C6HF5O
MW:
184.06
EINECS:
212-235-8
Product Categories:
  • Fluorobenzene
  • Phenol&Thiophenol&Mercaptan
  • Aromatic Phenols
  • Biochemistry
  • Coupling Reactions (Peptide Synthesis)
  • Peptide Synthesis
  • organofluorine compounds
Mol File:
771-61-9.mol
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Pentafluorophenol Chemical Properties

Melting point:
34-36 °C (lit.)
Boiling point:
143 °C (lit.)
Density 
1.757
refractive index 
1.4270
Flash point:
162 °F
storage temp. 
Store below +30°C.
pka
5.50±0.33(Predicted)
form 
Low Melting Crystalline Solid
color 
White to almost white
Specific Gravity
1.757
Water Solubility 
soluble
BRN 
1912584
Stability:
Stable. Incompatible with strong oxidizing agents, bases, acid chlorides, acid anhydrides.
InChIKey
XBNGYFFABRKICK-UHFFFAOYSA-N
CAS DataBase Reference
771-61-9(CAS DataBase Reference)
NIST Chemistry Reference
Phenol, pentafluoro-(771-61-9)
EPA Substance Registry System
Pentafluorophenol (771-61-9)
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Safety Information

Hazard Codes 
Xi,T,C,Xn
Risk Statements 
36/37/38-34-20/21/22-63-43-23/24/25-45-67-40
Safety Statements 
26-36-45-36/37/39-36/37-24/25-23-53
RIDADR 
2811
WGK Germany 
3
RTECS 
SM6680000
3
Hazard Note 
Toxic/Irritant
TSCA 
T
HazardClass 
8
PackingGroup 
III
HS Code 
29081000
Toxicity
LD50 scu-rat: 322 mg/kg IZSBAI 3,91,65

MSDS

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Pentafluorophenol Usage And Synthesis

Description

Pentafluorophenol can be used for the preparation of penta-fluorophenyl esters for peptide synthesis. It is used in the preparation of pentafluorophenyl esters for peptide synthesis and vulcanized polymers. It is also used for peptide coupling and heterocyclic acid derivatives. It is involved in the preparation of pentafluorophenyl formate which acts as a formulating agent for amines and amino acids. It can be used for synthesizing novel reagents which can achieve highly diastereoselective acetal cleavage.

Reference

3. Ishihara, Kazuaki, N. Hanaki, and H. Yamamoto. "Highly diastereoselective acetal cleavages using novel reagents prepared from organoaluminum and pentafluorophenol" Cheminform 25.9(2010):no-no.

Chemical Properties

White solid

Uses

Used for the preparation of pentafluorophenyl esters for peptide synthesis

Synthesis Reference(s)

The Journal of Organic Chemistry, 54, p. 5502, 1989 DOI: 10.1021/jo00284a022

Safety Profile

scu-rat LD50:322 mg/kg IZSBAI 3,91,65

Purification Methods

It is a hygroscopic low melting solid not freely soluble in H2O. Purify it by distillation, preferably in a vacuum [Forbes et al. J Chem Soc 2019 1959, IR and pKa: Birchall & Haszeldine J Chem Soc 13 1959]. IRofafilmhas max 3600 (OH) and 1575 (fluoroaromatic breathing) cm-1 . The benzoyl derivative has m 74-75o, 3,4-dinitrobenzoyl derivative has m 107o, the tosylate has m 64-65o (from EtOH) and the K salt crystallises from Me2CO, m 242o(dec), with 1H2O-salt the m is 248o(dec) and the 2H2O-salt has m 245o(dec). [Beilstein 6 IV 782.]

PentafluorophenolSupplier

Qi-Chem Co., Ltd. Gold
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