2-Fluoro-4-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 2-Fluoro-4-(trifluoromethyl)benzaldehyde
• CAS No.: 89763-93-9
• Molecular Formula: C8H4 F4 O
• Molecular Weight: 192.113
• Hs Code.: 29130000
• DSSTox Substance ID: DTXSID10335113
• Nikkaji Number: J829.242F
• Wikidata: Q72477253
• Mol file: 89763-93-9.mol

Synonyms:2-Fluoro-4-(trifluoromethyl)benzaldehyde;89763-93-9;C8H4F4O;Benzaldehyde, 2-fluoro-4-(trifluoromethyl)-;MFCD00061310;SCHEMBL153434;DTXSID10335113;H-P-FLUORO-DL-PHE-OMEHCL;BBL100984;STL554778;2-fluoro-4-trifluoromethylbenzaldehyde;AKOS005256321;AC-3849;AM62135;CS-W007958;PS-8341;2-fluoro-4-trifluoromethyl-benzaldehyde;2-fluoro4-(trifluoromethyl)benzaldehyde;SY016854;FT-0612322;(2-fluoro-4-trifluoromethyl-phenyl)-methanone;2-Fluoro-4-(trifluoromethyl)benzaldehyde, 98%;A21278;EN300-316816;4-(1,1,1-trifluoromethyl)-2-fluoro-benzaldehyde;J-509390;Z1203162009

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

Chemical Property:

• Vapor Pressure: 1.36E-07mmHg at 25°C
• Refractive Index: n20/D 1.45(lit.)
• Boiling Point: 118-119 °C(lit.)
• Flash Point: >230 °F
• PSA: 17.07000
• Density: 1.41 g/mL at 25 °C(lit.)
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C=O
• Uses: 2-Fluoro-4-(trifluoromethyl)benzaldehyde may be used in the synthesis of methyl 3-amino-6-(trifluoromethyl)benzo[b]thiophene-2-carboxylate.

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

There total 2 articles about 2-Fluoro-4-(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:

4-Trifluoromethylbenzaldehyde (455-19-6) → 4-trifluoromethyl-benzoyl fluoride (368-94-5) + 2-Fluoro-4-(trifluoromethyl)benzaldehyde (89763-93-9)

Guidance literature:

With fluorine; In acetonitrile; at 0 ℃; Inert atmosphere;

DOI:10.1021/op700194r

Reference yield:

2-fluoro-4-(trifluoromethyl)benzyl alcohol (197239-49-9) → 2-Fluoro-4-(trifluoromethyl)benzaldehyde (89763-93-9)

Guidance literature:

In hexane; dichloromethane; ethyl acetate;

Reference yield: 100.0%

2-Fluoro-4-(trifluoromethyl)benzaldehyde (89763-93-9) → {[2-fluoro-4-(trifluoromethyl)phenyl]methylidene}hydrazine

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 ℃; for 2.16667h; Inert atmosphere; Reflux;

upstream raw materials:

2-fluoro-4-(trifluoromethyl)benzyl alcohol

4-Trifluoromethylbenzaldehyde

Downstream raw materials:

(E)-3-(2-Fluoro-4-trifluoromethyl-phenyl)-acrylic acid ethyl ester

3-(4-chloro-3-ethylphenoxy)-N-[2-fluoro-4-(trifuoromethyl)benzyl]aniline

N-butyl-N-[2-fluoro-4-(trifluoromethyl)benzyl]amine

6-trifluoromethylbenzo[b]thiophene-2-carboxylic acid methyl ester