2-Chloro-4-fluorobenzaldehyde

Base Information

• Chemical Name: 2-Chloro-4-fluorobenzaldehyde
• CAS No.: 84194-36-5
• Molecular Formula: C7H4ClFO
• Molecular Weight: 158.56
• Hs Code.: 29130000
• DSSTox Substance ID: DTXSID10233105
• Nikkaji Number: J1.353.820D
• Wikidata: Q72450472
• Mol file: 84194-36-5.mol

Synonyms:2-Chloro-4-fluorobenzaldehyde;84194-36-5;MFCD00042527;Benzaldehyde, 2-chloro-4-fluoro-;4-fluoro-2-chlorobenzaldehyde;2-chloro-4-fluoro-benzaldehyde;SCHEMBL96823;2-chloro-4-fluorobezaldehyde;2-chloro 4-fluorobenzaldehyde;2-chloro 4-fluoro benzaldehyde;DTXSID10233105;BCP29326;2-chloranyl-4-fluoranyl-benzaldehyde;BBL020342;STK891549;2-Chloro-4-fluorobenzaldehyde, 97%;AKOS005144254;AC-2503;CS-W007440;PS-8798;SY001687;AM20060037;FT-0611757;EN300-71424;A840735;J-508735;F0001-2139;Z1079442562;2-Chloro-4-fluoro-benzaldehyde;4-Fluoro-2-chlorobenzaldehyde

Chemical Property of 2-Chloro-4-fluorobenzaldehyde

Chemical Property:

• Appearance/Colour: white to slightly yellow crystalline
• Melting Point: 60-63 °C(lit.)
• Boiling Point: 204.493 °C at 760 mmHg
• Flash Point: 80.931 °C
• PSA: 17.07000
• Density: 1.352 g/cm³
• LogP: 2.29160
• Storage Temp.: Refrigerator
• Sensitive.: Air Sensitive
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.9934706
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-4-fluorobenzaldehyde >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)C=O
• Uses: 2-Chloro-4-fluorobenzaldehyde is a reactant in the regio- and stereoselective preparation of spiro[pyrrolidinoxindoles]. 2-Chloro-4-fluorobenzaldehyde may be used in the synthesis of substituted α-cyanocinnamic acid, via Knoevenagel condensation reaction. It may be used in the synthesis of 2-(2-benzimidazolyl)-3-(2-chloro-4-fluorophenyl)acrylonitrile.

Technology Process of 2-Chloro-4-fluorobenzaldehyde

There total 8 articles about 2-Chloro-4-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: 98.1%

2‐chloro‐4‐fluorobenzyl chloride (93286-22-7) → 2-chloro-4-fluorobenzaldehyde (84194-36-5)

Guidance literature:

With tetrabutylammomium bromide; water; at 70 ℃; Reagent/catalyst; Temperature;

Reference yield: 92.0%

4-fluorobenzaldehyde (459-57-4) → 2-chloro-4-fluorobenzaldehyde (84194-36-5)

Guidance literature:

With N-chloro-succinimide; sulfuric acid; trifluoroacetic acid; at 0 - 70 ℃; for 23h; Reagent/catalyst; Temperature;

Reference yield: 85.0%

ethyl 2-chloro-4-fluorobenzoate (167758-87-4) → 2-chloro-4-fluorobenzaldehyde (84194-36-5)

Guidance literature:

With n-butyllithium; diisobutylaluminium hydride; tert-butyl alcohol; In tetrahydrofuran; hexane; at 0 ℃;

DOI:10.1002/ejoc.201101458

upstream raw materials:

2-chloro-4-fluorobenzylbromide

2,4-dichlorobenzaldeyhde

2-chloro-4-fluorotoluene

2-chloro-4-fluorobenzal bromide

Downstream raw materials:

trans-3-(2-chloro-4-fluorostyryl)phenanthrene

3-(2-chloro-4-fluorophenyl)-2-propenoic acid

2-chloro-4-(2-chloro-4-methoxy-phenoxy)-benzaldehyde

2-chloro-4-(3-chloro-4-methoxy-phenoxy)-benzaldehyde