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Pentafluorophenol

Description Reference
Product Name
Pentafluorophenol
CAS No.
771-61-9
Chemical Name
Pentafluorophenol
Synonyms
PFP;2,3,4,5,6-PENTAFLUOROPHENOL;HOPFP;PFP-OH;PENTAFLUORPHENOL;C6F5OH;HPLH2);Pentafluorophe;SSI(R) Unions;PERFLUOROPHENOL
CBNumber
CB0135306
Molecular Formula
C6HF5O
Formula Weight
184.06
MOL File
771-61-9.mol
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Pentafluorophenol Property

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.
solubility 
Chloroform (Slightly), Methanol (Slightly)
form 
Low Melting Crystalline Solid
pka
5.50±0.33(Predicted)
Specific Gravity
1.757
color 
White to almost white
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

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
F 
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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
103799
Product name
Pentafluorophenol
Purity
ReagentPlus , ≥99%
Packaging
5g
Price
$43.8
Updated
2025/07/31
Sigma-Aldrich
Product number
103799
Product name
Pentafluorophenol
Purity
ReagentPlus , ≥99%
Packaging
10g
Price
$80.7
Updated
2025/07/31
Sigma-Aldrich
Product number
8.18100
Product name
Pentafluorophenol
Purity
for synthesis
Packaging
25g
Price
$162
Updated
2022/05/15
TCI Chemical
Product number
P0919
Product name
Pentafluorophenol
Purity
>98.0%(GC)(T)
Packaging
10g
Price
$50
Updated
2025/07/31
TCI Chemical
Product number
P0919
Product name
Pentafluorophenol
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$103
Updated
2025/07/31
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Pentafluorophenol Chemical Properties,Usage,Production

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

Uses

Pentafluorophenol 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.

Uses

For the preparation of pentafluorophenyl esters for peptide synthesis.

Application

Pentafluorophenol can be used as a reactant to synthesize pentafluorophenyl esters from:

  • N-protected amino acid in the presence of dicyclohexylcarbodiimide and ethyl acetate.
  • t-Butoxycarbonyl-L-alanylglycinein the presence of 1-ethyl-(3-dimethylaminopropyl)carbodiimide hydrochloride.
  • Aliphatic dicarboxylic acids in the presence of pyridine, diisopropylcarbodiimide, and acetonitrile.
It can also be used as a reactant to synthesize pentafluorophenyl formate which can be used as a formylating agent in organic synthesis.

Synthesis Reference(s)

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

General Description

Pentafluorophenol is widely used as a precursor in both solution and solid-phase peptide synthesis. It is also involved in the preparation of aromatic fluoro derivatives.

reaction suitability

reaction type: Addition Reactions

Safety Profile

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

Purification Methods

Pentafluorophenol 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.]

Pentafluorophenol Preparation Products And Raw materials

Raw materials

Preparation Products

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Pentafluorophenol Suppliers

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View Lastest Price from Pentafluorophenol manufacturers

Shaanxi Dideu New Materials Co. Ltd
Product
Pentafluorophenol 771-61-9
Price
US $0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1000kg
Release date
2025-07-11
WUHAN FORTUNA CHEMICAL CO., LTD
Product
Pentafluorophenol 771-61-9
Price
US $0.00-0.00/Kg/Drum
Min. Order
1KG
Purity
99%
Supply Ability
500kg/month
Release date
2021-08-17
Hebei Fengjia New Material Co., Ltd
Product
Pentafluorophenol 771-61-9
Price
US $6.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
10000
Release date
2024-08-08

771-61-9, PentafluorophenolRelated Search:

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