Pentafluorobenzaldehyde

Base Information

• Chemical Name: Pentafluorobenzaldehyde
• CAS No.: 653-37-2
• Molecular Formula: C7HF5O
• Molecular Weight: 196.076
• Hs Code.: 29130000
• European Community (EC) Number: 211-502-6
• NSC Number: 96967
• UNII: S9YIE3JZ4K
• DSSTox Substance ID: DTXSID4022101
• Nikkaji Number: J205.942H
• Wikidata: Q27289101
• Mol file: 653-37-2.mol

Synonyms:2,3,4,5,6-pentafluorobenzaldehyde;pentafluorobenzaldehyde;perfluorobenzaldehyde

Chemical Property of Pentafluorobenzaldehyde

Chemical Property:

• Appearance/Colour: Clear yellowish liquid after melting
• Vapor Pressure: 1.82mmHg at 25°C
• Melting Point: 24-28 °C(lit.)
• Refractive Index: n20/D 1.45(lit.)
• Boiling Point: 166 °C at 760 mmHg
• Flash Point: 77.8 °C
• PSA: 17.07000
• Density: 1.605 g/cm³
• LogP: 2.19460
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Water Solubility.: Sparingly Soluble in water (0.027 g/L at 25°C).
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 195.99475546
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

99.9% ^*data from raw suppliers

2,3,4,5,6-Pentafluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,F,Xi
• Hazard Codes: Xn,F,Xi
• Statements: 20/22-36/37/38-20
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(=O)C1=C(C(=C(C(=C1F)F)F)F)F
• Uses: Pentafluorobenzaldehyde was used as derivatization reagent in a study to develop a sensitive method for the determination of primary amines in sewage sludge by headspace solid-phase micro extraction and gas chromatography-tandem mass spectrometry. It was used in the synthesis of novel, high molecular weight fluorinated aromatic polymers.

Technology Process of Pentafluorobenzaldehyde

There total 28 articles about Pentafluorobenzaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 62.4%

pentafluorophenylmagnesium chloride (879-06-1) + N-methyl-N-phenylformamide (93-61-8) → perfluorobenzaldehyde (653-37-2)

Guidance literature:

In diethyl ether; reaction under reflux, 4 hours;;

Reference yield: 61.5%

Pentafluorobenzonitrile (773-82-0) → perfluorobenzaldehyde (653-37-2)

Guidance literature:

With formic acid; nickel-aluminum alloy; In water; at 65 ℃; for 1h; Inert atmosphere; Large scale; Green chemistry;

Reference yield: 61.0%

pentafluorophenyl lithium (1076-44-4) + N-methyl-N-phenylformamide (93-61-8) → perfluorobenzaldehyde (653-37-2)

Guidance literature:

In diethyl ether; reaction at -78°C, 2 hours;;

DOI:10.1039/jr9620003227

upstream raw materials:

(2,3,4,5,6-pentafluorophenyl)methanol

1-(perfluorophenyl)-N-phenylmethanimine

bis(α-pentafluoroanilino-2,3,4,5,6-pentafluorobenzyl)peroxide

(bromomethyl)pentafluorobenzene

Downstream raw materials:

2-(4-nitro-phenyl)-4-(2,3,4,5,6-pentafluoro-benzylidene)-4H-oxazol-5-one

1,2,3,4,5-Pentafluoro-6-(3,3,3-trifluoro-2-trifluoromethyl-propenyl)-benzene

1D-O⁴-[(6Ξ)-2,6-bis-(2,3,4,5,6-pentafluoro-benzylideneamino)-α-D-erythro-2,3,4,6,7-pentadeoxy-heptopyranosyl]-O⁶-[4-methyl-3-methylamino-N,O⁴-((Ξ)-2,3,4,5,6-pentafluoro-benzylidene)-β-L-3-deoxy-arabinopyranosyl]-N,N'-bis-(2,3,4,5,6-pentafluoro-benzylidene)-2-deoxy-streptamine

4-nitro-3,5-bis-pentafluorophenyl-4,5-dihydro-isoxazole

Refernces

• 1、 Adil, Syed Farooq,Assal, Mohamed E.,Shaik, Mohammed Rafi,Kuniyil, Mufsir,Hashmi, Azhar,Khan, Mujeeb,Khan, Aslam,Tahir, Muhammad Nawaz,Al-Warthan, Abdulrahman,Siddiqui, Mohammed Rafiq H.. "Efficient aerial oxidation of different types of alcohols using ZnO nanoparticle–MnCO3-graphene oxide composites". . . Retrieved 2020/06/08.
• 2、 Assal, Mohamed E.,Kuniyil, Mufsir,Khan, Mujeeb,Al-Warthan, Abdulrahman,Siddiqui, Mohammed Rafiq H.,Tremel, Wolfgang,Nawaz Tahir, Muhammad,Adil, Syed Farooq. "Synthesis and Comparative Catalytic Study of Zirconia–MnCO3 or –Mn2O3 for the Oxidation of Benzylic Alcohols". . p. 112 - 120. Retrieved 2017/02/10.