2-Fluoro-5-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 2-Fluoro-5-(trifluoromethyl)benzaldehyde
• CAS No.: 146137-78-2
• Molecular Formula: C8H4F4O
• Molecular Weight: 192.113
• Hs Code.: 29130000
• European Community (EC) Number: 626-370-9
• DSSTox Substance ID: DTXSID30370566
• Nikkaji Number: J256.546C
• Wikidata: Q72477251
• Mol file: 146137-78-2.mol

Synonyms:2-Fluoro-5-(trifluoromethyl)benzaldehyde;146137-78-2;2-fluoro-5-trifluoromethylbenzaldehyde;Benzaldehyde, 2-fluoro-5-(trifluoromethyl)-;MFCD00061311;2-fluoro-5-(trifluoromethyl) benzaldehyde;SCHEMBL269221;ALPHA,ALPHA,ALPHA,6-TETRAFLUORO-M-TOLUALDEHYDE;DTXSID30370566;BBL028088;STK802610;AKOS005063925;AC-2814;CS-W010712;DS-11306;SY003030;2-fluoranyl-5-(trifluoromethyl)benzaldehyde;AM20060050;F0289;FT-0612345;EN300-76464;2-Fluoro-5-(trifluoromethyl)benzaldehyde, 97%;A808458;J-008197;Z1160901778;2-Fluoro-5-trifluoromethyl-benzaldehyde

Chemical Property of 2-Fluoro-5-(trifluoromethyl)benzaldehyde

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 1.3mmHg at 25°C
• Refractive Index: n20/D 1.452(lit.)
• Boiling Point: 173 °C at 760 mmHg
• Flash Point: 62.5 °C
• PSA: 17.07000
• Density: 1.383 g/cm³
• LogP: 2.65700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.01982740
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98% ^*data from raw suppliers

2-Fluoro-5-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)C=O)F

Technology Process of 2-Fluoro-5-(trifluoromethyl)benzaldehyde

There total 3 articles about 2-Fluoro-5-(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:

2-fluoro-5-trifluoromethyl-benzonitrile (4088-84-0) → 2-fluoro-5-trifluoromethylbenzaldehyde (146137-78-2)

Guidance literature:

With formic acid; aluminum nickel; In water;

Reference yield:

4-Fluorobenzotrifluoride (402-44-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-fluoro-5-trifluoromethylbenzaldehyde (146137-78-2)

Guidance literature:

With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) hexane, THF, -78 deg C, 2.) -78 deg C;

DOI:10.1016/S0040-4039(00)60806-7

Reference yield:

→ 2-fluoro-5-trifluoromethylbenzaldehyde (146137-78-2)

Guidance literature:

upstream raw materials:

4-Fluorobenzotrifluoride

N,N-dimethyl-formamide

2-fluoro-5-trifluoromethyl-benzonitrile

Downstream raw materials:

2-piperidino-5-trifluoromethylbenzaldehyde

α-Ethenyl-2-fluoro-5-(trifluoromethyl)benzenemethanol

C₁₁H₉F₃O₂

2-(3,4-Dichlorophenoxy)-5-Trifluoromethylbenzaldehyde

Refernces

• 1、 -. "Process for producing trifluoromethylbenzylamines". . . Retrieved 2008/06/13.
• 2、 Bridges, Alexander J.,Lee, Arthur,Maduakor, Emmanuel C.,Eric Schwartz. "Fluorine as an ortho-directing group in aromatic metalation: A two step preparation of substituted benzo[b] thiophene-2-carboxylates". . p. 7499 - 7502. Retrieved 2007/10/02.