4-Chloro-2,6-difluorobenzaldehyde

Base Information

• Chemical Name: 4-Chloro-2,6-difluorobenzaldehyde
• CAS No.: 252004-45-8
• Molecular Formula: C7H3ClF2O
• Molecular Weight: 176.55
• Hs Code.: 2913000090
• European Community (EC) Number: 663-234-8
• DSSTox Substance ID: DTXSID20378511
• Wikidata: Q72518306
• Mol file: 252004-45-8.mol

Synonyms:4-Chloro-2,6-difluorobenzaldehyde;252004-45-8;Benzaldehyde, 4-chloro-2,6-difluoro-;MFCD03094460;JRD-1821;SCHEMBL1349783;DTXSID20378511;GTTVSBCPMJQRSP-UHFFFAOYSA-N;4-chloro-2,6-difluoro-benzaldehyde;BBL103593;STL557403;AKOS005255372;4-Chloro-2,6-difluorobenzaldehyde, 97%;AC-26281;PS-10190;SY106793;CS-0157707;FT-0678656;EN300-123514;A817702;W-206937;Z1201622046

Chemical Property of 4-Chloro-2,6-difluorobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.353mmHg at 25°C
• Melting Point: 70-74℃
• Refractive Index: 1.536
• Boiling Point: 198.8 °C at 760 mmHg
• Flash Point: 74 °C
• PSA: 17.07000
• Density: 1.453 g/cm³
• LogP: 2.43070
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.9840487
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2,6-difluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25-36/37/38
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)C=O)F)Cl

Technology Process of 4-Chloro-2,6-difluorobenzaldehyde

There total 2 articles about 4-Chloro-2,6-difluorobenzaldehyde 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: 41.0%

1-chloro-3,5-difluorobenzene (1435-43-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-chloro- 2,6-difluorobenzaldehyde (252004-45-8)

Guidance literature:

1-chloro-3,5-difluorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at 20 ℃; for 18h;

Reference yield:

1-chloro-3,5-difluorobenzene (1435-43-4) → 4-chloro- 2,6-difluorobenzaldehyde (252004-45-8)

Guidance literature:

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; N-methyl-acetamide; hexane;

Reference yield: 92.0%

4-chloro- 2,6-difluorobenzaldehyde (252004-45-8) → C7H4ClF2NO

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 12h;

upstream raw materials:

1-chloro-3,5-difluorobenzene

N,N-dimethyl-formamide

Downstream raw materials:

(4-chloro-2,6-difluoro-phenyl)-methanol

3-(5-chloro-3-fluoro-2-formyl-phenoxy)-azetidine-1-carboxylic acid tert-butyl ester

C₃₁H₃₇F₂N₅O₅

C₂₆H₂₉F₂N₅O₃

Refernces

• 1、 -. "Isothiazole derivatives useful as anticancer agents". . . Retrieved 2008/06/13.