4-Chloro-2-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 4-Chloro-2-(trifluoromethyl)benzaldehyde
• CAS No.: 320-43-4
• Molecular Formula: C8H4ClF3O
• Molecular Weight: 208.567
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90381234
• Wikidata: Q72460137
• Mol file: 320-43-4.mol

Synonyms:4-Chloro-2-(trifluoromethyl)benzaldehyde;320-43-4;4-chloro-2-trifluoromethylbenzaldehyde;Benzaldehyde, 4-chloro-2-(trifluoromethyl)-;MFCD03092987;2-TRIFLUOROMETHYL-4-CHLOROBENZALDEHYDE;SCHEMBL502871;4-Chloro-2-(trifluoromethyl);DTXSID90381234;CL8342;AKOS005257316;AC-1081;AM61452;CS-W015200;DS-1619;PS-8031;SY020692;A5767;FT-0600988;EN300-191200;J-514913;4-chloro-2-(trifluoromethyl)benzaldehyde, AldrichCPR;4-Chloro-2-trifluoromethyl-benzaldehyde

Chemical Property of 4-Chloro-2-(trifluoromethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.034mmHg at 25°C
• Refractive Index: 1.505
• Boiling Point: 218.5 °C at 760 mmHg
• Flash Point: 85.9 °C
• PSA: 17.07000
• Density: 1.423 g/cm³
• LogP: 3.17130
• Sensitive.: Air Sensitive
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.9902769
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chloro-2-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)C=O

Technology Process of 4-Chloro-2-(trifluoromethyl)benzaldehyde

There total 6 articles about 4-Chloro-2-(trifluoromethyl)benzaldehyde 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: 95.0%

o-trifluoromethyl-4-chloro-α,α-dichlorotoluene (157229-44-2) → 4-chloro-2-(trifluoromethyl)benzaldehyde (320-43-4)

Guidance literature:

With hydrogenchloride; iron(III) chloride; water; at 110 - 115 ℃; for 3h;

Reference yield: 87.0%

4-chloro-2-(trifluoromethyl)benzonitrile (320-41-2) → 4-chloro-2-(trifluoromethyl)benzaldehyde (320-43-4)

Guidance literature:

With formic acid; nickel/aluminium alloy; water; at 100 ℃;

Reference yield:

o-trifluoromethyl-4-bromo-α,α-dichlorotoluene → 4-chloro-2-(trifluoromethyl)benzaldehyde (320-43-4)

Guidance literature:

With formic acid; sulfuric acid; at 95 ℃; for 16h; Reagent/catalyst;

upstream raw materials:

4-chloro-2-(trifluoromethyl)benzonitrile

o-trifluoromethyl-α,α-dichlorotoluene

o-trifluoromethyl-4-chloro-α,α-dichlorotoluene

4-chloro-1,2-dimethylbenzene

Downstream raw materials:

4-chloro-2-trifluoromethylbenzoyl chloride

(4-chloro-2-(trifluoromethyl)phenyl)methanol

1-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzene

(S)-N-(4-chloro-2-(trifluoromethyl)benzylidene)-2-methylpropane-2-sulfinamide

Refernces

• 1、 -. "2-benzoyl malonate compound as well as preparation method and application thereof". Paragraph 0098-0101. . Retrieved 2020/07/15.
• 2、 -. "1-(HETERO)ARYL-3-AMINO-PYROLLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS". Page/Page column 63. . Retrieved 2010/11/08.