602-94-8

  • Product Name:2,3,4,5,6-Pentafluorobenzoic acid
  • Molecular Formula:C7HF5O2
  • Purity:99%
  • Molecular Weight:212.076
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Product Details;

CasNo: 602-94-8

Molecular Formula: C7HF5O2

Appearance: white to light yellow crystal powder

High Purity 99% Chinese Factory Supply 2,3,4,5,6-Pentafluorobenzoic acid 602-94-8 Safe Delivery

  • Molecular Formula:C7HF5O2
  • Molecular Weight:212.076
  • Appearance/Colour:white to light yellow crystal powder 
  • Vapor Pressure:1.17E-05mmHg at 25°C 
  • Melting Point:100-102 °C(lit.) 
  • Refractive Index:1.513 
  • Boiling Point:220.014 °C at 760 mmHg 
  • PKA:1.75(at 25℃) 
  • Flash Point:86.862 °C 
  • PSA:37.30000 
  • Density:1.724 g/cm3 
  • LogP:2.08030 

Pentafluorobenzoic acid(Cas 602-94-8) Usage

Chemical Properties

white to light yellow crystal powder

Synthesis Reference(s)

The Journal of Organic Chemistry, 35, p. 930, 1970 DOI: 10.1021/jo00829a013

Safety Profile

Poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of Fí.

Purification Methods

Dissolve the acid in Et2O, treat it with charcoal, filter, dry (CaSO4), filter again, evaporate and recrystallise the residue from pet ether (b 90-100o) after adding a little toluene, to give large colourless plates. UV (H2O) has max at 265nm ( 761) (H2O). The S-benzylisothiuronium salt has m 187o (from H2O). [McBee & Rapkin J Am Chem Soc 73 1366 1951, Nield et al. J Chem Soc 166 1959, Beilstein 9 IV 956.]

InChI:InChI=1/C8H8BFO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3

602-94-8 Relevant articles

On reactions of carbon disulphide induced by 'naked' fluoride part 1: Reactions with fluoroaromatics

Ruediger, Stephan,Seppelt, Konrad

, p. 25 - 28 (1997)

On reaction with carbon disulphide and t...

Direct conversion of perfluoroalkanes and perfluoroarenes to perfluoro Grignard reagents

Beck, Christopher M.,Park, You-Jung,Crabtree, Robert H.

, p. 693 - 694 (1998)

Magnesium anthracene selectively reduces...

Mechanochemical Grignard Reactions with Gaseous CO2 and Sodium Methyl Carbonate**

Pfennig, Victoria S.,Villella, Romina C.,Nikodemus, Julia,Bolm, Carsten

supporting information, (2022/01/22)

A one-pot, three-step protocol for the p...

Photoinduced FeCl3-Catalyzed Alkyl Aromatics Oxidation toward Degradation of Polystyrene at Room Temperature?

Zhang, Guoxiang,Zhang, Zongnan,Zeng, Rong

supporting information, p. 3225 - 3230 (2021/09/28)

While polystyrene is widely used in dail...

Preparation method of pentafluorophenol

-

Paragraph 0071; 0072, (2020/07/24)

The invention relates to the field of or...

Selective oxidation method for toluene compounds

-

Paragraph 0126; 0127, (2019/12/25)

The invention discloses a selective oxid...

602-94-8 Process route

N-pentafluorophenyl-pentafluorophenylaldimine
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N-pentafluorophenyl-pentafluorophenylaldimine

pentafluoronitrobenzen
880-78-4

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Pentafluorobenzoic acid
602-94-8

Pentafluorobenzoic acid

Conditions
Conditions Yield
With dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane; for 10h; Heating;
82%
85%
1-chloro-2,3,4,5,6-pentafluorobenzene
344-07-0

1-chloro-2,3,4,5,6-pentafluorobenzene

carbon dioxide
124-38-9,18923-20-1

carbon dioxide

Pentafluorobenzene
363-72-4

Pentafluorobenzene

Pentafluorobenzoic acid
602-94-8

Pentafluorobenzoic acid

Conditions
Conditions Yield
1-chloro-2,3,4,5,6-pentafluorobenzene; With magnesium; In tetrahydrofuran; at 10 ℃;
carbon dioxide; In tetrahydrofuran; at -10 - 20 ℃; for 0.333333h; under 1137.76 Torr;
96 %Spectr.
1-chloro-2,3,4,5,6-pentafluorobenzene; With magnesium; In tetrahydrofuran; at 10 ℃;
carbon dioxide; In tetrahydrofuran; at -10 - 20 ℃; for 0.333333h;
62 %Spectr.

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