2-Fluorobenzaldehyde

Base Information

• Chemical Name: 2-Fluorobenzaldehyde
• CAS No.: 446-52-6
• Molecular Formula: C7H5FO
• Molecular Weight: 124.115
• Hs Code.: 29130000
• European Community (EC) Number: 207-171-2
• NSC Number: 66829
• UNII: 7ZX20DXB9Z
• DSSTox Substance ID: DTXSID8022030
• Nikkaji Number: J30.717C
• Wikidata: Q27269091
• ChEMBL ID: CHEMBL4084647
• Mol file: 446-52-6.mol

Synonyms:2-Fluorobenzaldehyde;446-52-6;o-Fluorobenzaldehyde;Benzaldehyde, 2-fluoro-;Benzaldehyde, o-fluoro-;ortho-Fluorobenzaldehyde;C7H5FO;Benzaldehyde, fluoro-;fluorobenzaldehyde;MFCD00003302;2-Fluorobenzaldethyde;EINECS 207-171-2;NSC 66829;UNII-7ZX20DXB9Z;BRN 0507155;7ZX20DXB9Z;CHEMBL4084647;NSC-66829;4-07-00-00559 (Beilstein Handbook Reference);Benzaldehyde,2-fluoro;fluoro benzaldehyde;2-fluorobenzaldehye;2-fluorobezaldehyde;2-flurobenzaldehyde;2-fuorobenzaldehyde;o-Fluro benzaldehyde;2-fluoro-benzaldehyd;2-fluoro-benzaldehye;2-fluoro benzaldehyde;2-fluoro-benzaldehyde;2-Fluorobenzaldehyde, 97%;(2-fluoro-phenyl)-methanone;SCHEMBL87096;DTXSID8022030;AMY8706;BCP27434;NSC66829;BDBM50234269;AKOS000119733;CS-W008891;PS-9212;AC-10794;BP-12637;LS-25048;F0190;FT-0612406;O-Fluorobenzaldehyde;EN300-20044;A15575;W-106180;Q27269091;F2190-0626;Z104476570

Chemical Property of 2-Fluorobenzaldehyde

Chemical Property:

• Appearance/Colour: clear colorless to light brown liquid
• Vapor Pressure: 0.796mmHg at 25°C
• Melting Point: -44.5 °C(lit.)
• Refractive Index: 1.522
• Boiling Point: 175.2 °C at 760 mmHg
• Flash Point: 55.1 °C
• PSA: 17.07000
• Density: 1.178 g/cm³
• LogP: 1.63820
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Water Solubility.: INSOLUBLE
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.032442941
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

2-Fluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F,Xn
• Hazard Codes: Xi,F,Xn
• Statements: 10-36/37/38-22
• Safety Statements: 16-26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=O)F
• Uses: 2?-(2-Fluorobenzylidene)-2-hydroxybenzohydrazide was synthesized by the reaction of 2-hydroxybenzoylhydrazine with 2-fluorobenzaldehyde in ethanol. Synthesis of n-aryl indolines from 2-fluorobenzaldehyde dimethylhydrazone derivatives which is an approach to preparation of c(aryl)-n(amine) bond atropisomeric amines. The o-dialkylaminobenzaldehydes were conveniently prepared by nucleophilic displacement of the activated fluorine in 2-fluorobenzaldehyde with the required dialkylamine in hot dimethylformamide. N?-(2-Fluorobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide methanol solvate in the reaction of quinolin-8-yloxyacetic acid hydrazide and 2-fluorobenzaldehyde.

Technology Process of 2-Fluorobenzaldehyde

There total 79 articles about 2-Fluorobenzaldehyde 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: 96.0%

2-fluorobenzyl alcohol (446-51-5) → 2-Fluorobenzaldehyde (446-52-6)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.0666667h; Microwave irradiation;

DOI:10.33224/rrch.2020.65.3.08

Reference yield: 96.0%

o-fluoro-benzoic acid (445-29-4) → 2-Fluorobenzaldehyde (446-52-6)

Guidance literature:

With (CH₃)2NCH₂NpSiH₂Ph; at 150 - 170 ℃;

DOI:10.1016/S0040-4039(00)96426-8

Reference yield: 93.0%

N,N-diethyl 2-fluorobenzamide (10345-76-3) → 2-Fluorobenzaldehyde (446-52-6)

Guidance literature:

With zirconocene dichloride; lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran; at 20 ℃; for 0.0333333h; Inert atmosphere;

DOI:10.1021/ol403183a

upstream raw materials:

2-Fluorotoluene

2-fluorobenzaldehyde-1,1-diacetate

fluorobenzene

carbon monoxide

Downstream raw materials:

3,6-bis-(2-fluoro-benzylidene)-piperazine-2,5-dione

(E)-1-(2-hydroxy-phenyl)-3-(2-fluoro-phenyl)-prop-2-en-1-one

(Z)-4-(2-fluorobenzylidene)-2-phenyloxazol-5(4H)-one

1-(2-fluorophenyl)ethanol

Refernces

• 1、 Abdolmaleki, Sara,Ghadermazi, Mohammad. "Novel pyridinedicarboxamide derivatives and a polymeric copper(II) complex: Synthesis, structural characterization, electrochemical behavior, catalytic and cytotoxic studies". . p. 221 - 232. Retrieved 2017.
• 2、 Bikas, Rahman,Shahmoradi, Elaheh,Noshiranzadeh, Nader,Emami, Marzieh,Reinoso, Santiago. "The effects of halogen substituents on the catalytic oxidation of benzyl-alcohols in the presence of dinuclear oxidovanadium(IV) complex". . p. 100 - 109. Retrieved 2017.
• 3、 Altenbach, Robert J.,Buchman, Marek,Farney, Elliot P.,Gfesser, Gregory A.,Greszler, Stephen N.,Voight, Eric A.. "Lithioarene Cycliacylation and Pd-Catalyzed Aminoethylation/Cyclization to Access Electronically Diverse Saturated Isoquinoline Derivatives". . p. 776 - 789. Retrieved 2022/01/14.