2,3,4-Trifluorobenzaldehyde

Base Information

• Chemical Name: 2,3,4-Trifluorobenzaldehyde
• CAS No.: 161793-17-5
• Molecular Formula: C7H3F3O
• Molecular Weight: 160.095
• Hs Code.: 29130000
• European Community (EC) Number: 623-702-4
• DSSTox Substance ID: DTXSID90333930
• Nikkaji Number: J2.650.044C
• Wikidata: Q72510838
• Mol file: 161793-17-5.mol

Synonyms:Benzaldehyde, 2,3,4-trifluoro-;

Chemical Property of 2,3,4-Trifluorobenzaldehyde

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.039mmHg at 25°C
• Refractive Index: n20/D 1.482(lit.)
• Boiling Point: 182.1 °C at 760 mmHg
• Flash Point: 52.7 °C
• PSA: 17.07000
• Density: 1.407 g/cm³
• LogP: 1.91640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 160.01359920
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

2,3,4-Trifluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C=O)F)F)F
• Uses: 2,3,4-Trifluorobenzaldehyde may be used in chemical synthesis.

Technology Process of 2,3,4-Trifluorobenzaldehyde

There total 2 articles about 2,3,4-Trifluorobenzaldehyde 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: 90.0%

1,2,3-trifluorobenzene (1489-53-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,3,4-trifluorobenzaldehyde (161793-17-5,887586-11-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -70 ℃; for 1.5h; Large scale;

Reference yield:

→ 2,3,4-trifluorobenzaldehyde (161793-17-5,887586-11-0)

Guidance literature:

Reference yield: 96.0%

thiosemicarbazide (79-19-6) + 2,3,4-trifluorobenzaldehyde (161793-17-5,887586-11-0) → 2,3,4-trifluorobenzaldehyde thiosemicarbazone

Guidance literature:

With sulfuric acid; In ethanol; at 40 ℃; for 4h;

DOI:10.1016/j.jfluchem.2017.01.013

upstream raw materials:

1,2,3-trifluorobenzene

N,N-dimethyl-formamide

Downstream raw materials:

2,3,4-trifluoro-(1H-imidazol-2-yl)benzene

(E)-2,3,4-trifluorostyryl 4-fluorobenzyl sulfone

(E)-2,3,4-trifluorostyryl 4-chlorobenzyl sulfone

1-(2,3,4-trifluorophenyl)-2-butyn-1-one