4-Chloro-2,5-difluorobenzaldehyde

Base Information

• Chemical Name: 4-Chloro-2,5-difluorobenzaldehyde
• CAS No.: 879093-02-4
• Molecular Formula: C7H3 Cl F2 O
• Molecular Weight: 176.55
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID80597185
• Wikidata: Q82492686
• Mol file: 879093-02-4.mol

Synonyms:4-CHLORO-2,5-DIFLUOROBENZALDEHYDE;879093-02-4;4-Chloro-2,5-difluoro-benzaldehyde;Benzaldehyde, 4-chloro-2,5-difluoro-;MFCD07782051;2,5-DIFLUORO-4-CHLOROBENZALDEHYDE;SCHEMBL604322;DTXSID80597185;XPZYVMBPIANKJG-UHFFFAOYSA-N;CL9103;AKOS005063839;AC-2297;AM62127;CS-W006565;GS-4330;SB39315;SY110124;DB-006748;A21246;EN300-111402;Z1198174773

Chemical Property of 4-Chloro-2,5-difluorobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.174mmHg at 25°C
• Boiling Point: 212.3oC at 760 mmHg
• Flash Point: 82.2oC
• PSA: 17.07000
• Density: 1.453g/cm3
• LogP: 2.43070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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: 153

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-2,5-difluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)Cl)F)C=O
• Uses: 4-Chloro-2,5-difluorobenzaldehyde is a reactant used in the synthesis of quinuclidine amide compounds which are pharmaceutically acceptable salts that are suitable as alpha-7 nicotinic acetylcholine receptor agonists.

Technology Process of 4-Chloro-2,5-difluorobenzaldehyde

There total 1 articles about 4-Chloro-2,5-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:

(4-chloro-2,5-difluorophenyl)-methane (879093-04-6) → 4-chloro-2,5- difluorobenzaldehyde (879093-02-4)

Guidance literature:

With pyridinium chlorochromate; In chloroform; for 24.5h;

Reference yield: 92.0%

4-chloro-2,5- difluorobenzaldehyde (879093-02-4) → C7H4ClF2NO

Guidance literature:

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

Reference yield: 43.0%

morpholine (110-91-8,99108-56-2) + 4-chloro-2,5- difluorobenzaldehyde (879093-02-4) → 4-(4-chloro-2,5-difluorobenzyl)morpholine (1252575-77-1)

Guidance literature:

With sodium tris(acetoxy)borohydride; sodium hydrogencarbonate; In 1,1-dichloroethane;

upstream raw materials:

(4-chloro-2,5-difluorophenyl)-methane

Downstream raw materials:

6-chloro-5-fluoro-1H-indazole

4-(4-chloro-2,5-difluorobenzyl)morpholine

(3S,5S)-4-(4-chloro-2,5-difluorobenzyl)-3,5-dimethylmorpholine