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4-Chlorobenzaldehyde

Base Information Edit
  • Chemical Name:4-Chlorobenzaldehyde
  • CAS No.:104-88-1
  • Deprecated CAS:2324860-98-0
  • Molecular Formula:C7H5ClO
  • Molecular Weight:140.569
  • Hs Code.:2913.10
  • European Community (EC) Number:203-247-4
  • NSC Number:2078
  • UN Number:2811
  • UNII:E67727UP9Z
  • DSSTox Substance ID:DTXSID2021860
  • Nikkaji Number:J96.206F
  • Wikipedia:4-Chlorobenzaldehyde
  • Wikidata:Q2154695
  • Metabolomics Workbench ID:67552
  • ChEMBL ID:CHEMBL1474
  • Mol file:104-88-1.mol
4-Chlorobenzaldehyde

Synonyms:4-chlorobenzaldehyde;p-chlorobenzaldehyde

Suppliers and Price of 4-Chlorobenzaldehyde
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 4-Chlorobenzaldehyde
  • 5 g
  • $ 125.00
  • TCI Chemical
  • 4-Chlorobenzaldehyde >97.0%(GC)
  • 25g
  • $ 19.00
  • TCI Chemical
  • 4-Chlorobenzaldehyde >97.0%(GC)
  • 100g
  • $ 29.00
  • TCI Chemical
  • 4-Chlorobenzaldehyde >97.0%(GC)
  • 500g
  • $ 59.00
  • SynQuest Laboratories
  • 4-Chlorobenzaldehyde
  • 5 kg
  • $ 522.00
  • SynQuest Laboratories
  • 4-Chlorobenzaldehyde
  • 1 kg
  • $ 144.00
  • SynQuest Laboratories
  • 4-Chlorobenzaldehyde
  • 250 g
  • $ 74.00
  • Sigma-Aldrich
  • 4-Chlorobenzaldehyde 97%
  • 50g
  • $ 30.70
  • Sigma-Aldrich
  • 4-Chlorobenzaldehyde for synthesis. CAS 104-88-1, molar mass 140.57 g/mol., for synthesis
  • 8024531000
  • $ 93.10
  • Sigma-Aldrich
  • 4-Chlorobenzaldehyde for synthesis
  • 1 kg
  • $ 89.17
Total 221 raw suppliers
Chemical Property of 4-Chlorobenzaldehyde Edit
Chemical Property:
  • Appearance/Colour:colourless to light yellow crystalline powder 
  • Vapor Pressure:8.75 atm ( 21 °C) 
  • Melting Point:46 °C 
  • Refractive Index:1.585 
  • Boiling Point:213.713 °C at 760 mmHg 
  • Flash Point:87.778 °C 
  • PSA:17.07000 
  • Density:1.243 g/cm3 
  • LogP:2.15250 
  • Storage Temp.:Store below +30°C. 
  • Sensitive.:Air Sensitive 
  • Solubility.:935mg/l 
  • Water Solubility.:935 mg/L (20 ºC) 
  • XLogP3:2.1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:1
  • Exact Mass:140.0028925
  • Heavy Atom Count:9
  • Complexity:95.1
  • Transport DOT Label:Poison
Purity/Quality:

98% min *data from raw suppliers

4-Chlorobenzaldehyde *data from reagent suppliers

Safty Information:
  • Pictogram(s): FlammableF; CorrosiveC; DangerousN; HarmfulXn; IrritantXi 
  • Hazard Codes:F,C,N,Xn,Xi 
  • Statements: 22-36/37/38-51/53-36/38 
  • Safety Statements: 26-61-37/39-36 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Chemical Classes:Other Classes -> Benzaldehydes
  • Canonical SMILES:C1=CC(=CC=C1C=O)Cl
  • Uses 4-Chlorobenzaldehyde is used as an intermediate for the manufacture of dyestuffs, optical brighteners, pharmaceuticals, agricultural chemicals and metal finishing products.
Technology Process of 4-Chlorobenzaldehyde

There total 671 articles about 4-Chlorobenzaldehyde 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:
Guidance literature:
With oxygen; cetyltrimethylammonim bromide; In water; at 20 ℃; for 5h; under 760.051 Torr; Irradiation; Green chemistry;
DOI:10.1039/d0gc01727b
Guidance literature:
With potassium hydroxide; In toluene; at 110 ℃; for 16h; Sealed tube; Inert atmosphere; Schlenk technique;
DOI:10.1002/anie.201308642
Guidance literature:
With methyloxirane; In 1,2-dichloro-ethane; for 0.75h; Mechanism; Heating;
DOI:10.1016/S0040-4039(00)98960-3
Refernces Edit

Amino-salicylaldimine-palladium(II) complexes: New and efficient catalysts for Suzuki and Heck reactions

10.1016/j.inoche.2009.10.023

The research focuses on the synthesis and characterization of amino-salicylaldimine-palladium(II) complexes as efficient catalysts for Suzuki and Heck cross-coupling reactions, which are crucial for the synthesis of various organic compounds including natural products and pharmaceuticals. The study involves the preparation of these palladium complexes with different ligands, such as morpholine, piperidine, pyrrolidine, 4-methylpiperazin, and diisopropylamine, and their subsequent evaluation as catalysts under various reaction conditions. The complexes were characterized using techniques like IR spectrometry, 1H NMR, and elemental analysis, with the crystal structure of one complex confirmed by X-ray diffraction analysis. The effectiveness of these catalysts was tested in Suzuki reactions using 4-chlorobenzaldehyde with phenylboronic acid, optimizing the reaction conditions by varying solvents, bases, and temperatures. The Heck reaction was also explored with aryl bromides and different olefins. The study utilized GC-MS to determine the conversion yields of the reactions, providing a comprehensive analysis of the catalytic activities and the influence of electronic and steric factors on the reaction outcomes.

Synthesis of Oxazolidines, Thiazolidines, and 5,6,7,8-Tetrahydro-1H,3H-pyrrolo<1,2-c>oxazole (or thiazole)-1,3-diones from β-Hydroxy- or β-Mercapto-α-amino Acid Esters

10.1246/bcsj.54.1844

The study investigates the synthesis of oxazolidines, thiazolidines, and 5,6,7,8-tetrahydro-1H,3H-pyrrolo[1,2-c]oxazole (or thiazole)-1,3-diones from β-hydroxy- or β-mercapto-α-amino acid esters. Aromatic aldehydes such as benzaldehyde, p-anisaldehyde, p-chlorobenzaldehyde, and p-nitrobenzaldehyde are used to react with amino acid ethyl esters like L-serine, 3-phenyl-DL-serine, L-threonine, or L-cysteine to form oxazolidines or thiazolidines. These compounds can then be converted into oxazoles and thiazoles through dehydrogenation using N-bromosuccinimide. Acetylation of oxazolidines and thiazolidines leads to N-acetylderivatives, which can undergo cyclization in the presence of anhydrous ZnCl? to form the tetrahydro-pyrrolo[1,2-c]oxazole (or thiazole)-1,3-diones. The study also explores the interaction of oxazolidines and thiazolidines with p-nitrobenzaldehyde and piperidine to form Mannich bases. The IR spectra of the synthesized compounds are analyzed, showing characteristic shifts and absorptions related to functional groups such as the ester group and the oxazole or thiazole ring.

Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: One-pot syntheses of highly functional alkenes

10.1039/c0ob00644k

The study presents an efficient one-pot synthesis method for highly functional alkenes through a phosphine-catalyzed tandem three-component reaction involving aldehydes, alkyl vinyl ketones, and amides. The process utilizes either EtPPh2 or PPh3 as catalysts and achieves high yields (68–99%) with excellent stereoselectivity (E/Z ratios up to 98:2) within a total reaction time of 3 to 29.5 hours. The study also explores the scope of the reaction with various aryl- and heteroaryl-substituted aldehydes, amides, and alkyl vinyl ketones, demonstrating the versatility and practicality of the method. The reaction mechanism is proposed to involve a Morita–Baylis–Hillman reaction followed by a Michael addition, leading to the formation of the desired alkenes. The mild reaction conditions and the high atom economy of the process make it a valuable addition to organic synthesis.

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