ChemicalBook > CAS DataBase List > Pentafluorophenol

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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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

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Biochemistry

Coupling Reactions (Peptide Synthesis)

Peptide Synthesis