2,5-Bis(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 2,5-Bis(trifluoromethyl)benzaldehyde
• CAS No.: 395-64-2
• Molecular Formula: C9H4 F6 O
• Molecular Weight: 242.121
• Hs Code.: 2913000090
• European Community (EC) Number: 624-191-0
• DSSTox Substance ID: DTXSID80372257
• Wikidata: Q72447143
• Mol file: 395-64-2.mol

Synonyms:2,5-Bis(trifluoromethyl)benzaldehyde;395-64-2;Benzaldehyde, 2,5-bis(trifluoromethyl)-;SCHEMBL663646;DTXSID80372257;2,5-bistrifluoromethyl benzaldehyde;2,5-Bis trifluoromethyl benzaldehyde;BBL101212;MFCD00674087;STL555008;AKOS005257869;AM62563;PS-7564;2,5-Bis(trifluoromethyl)benzaldehyde, 97%;FT-0610261;E77674;EN300-7370039;A824622;Z2044782307

Chemical Property of 2,5-Bis(trifluoromethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.317mmHg at 25°C
• Refractive Index: 1.421
• Boiling Point: 200.9°Cat760mmHg
• Flash Point: 74.7°C
• PSA: 17.07000
• Density: 1.44g/cm³
• LogP: 3.53670
• Storage Temp.: Room temperature.
• Sensitive.: Air Sensitive
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 242.01663372
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Bis(trifluoromethyl)benzaldehyde

There total 4 articles about 2,5-Bis(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:

2,5-bis(trifluoromethyl)benzonitrile (51012-27-2) → 2,5-bis(trifluoromethyl)benzaldehyde (395-64-2)

Guidance literature:

2,5-bis(trifluoromethyl)benzonitrile; With diisobutylaluminium hydride; In toluene; at -80 - 50 ℃; for 3h;

With water; In toluene;

Reference yield:

2-phenoxynicotinic acid hydrazide (175135-01-0) → 2,5-bis(trifluoromethyl)benzaldehyde (395-64-2)

Guidance literature:

Reference yield:

→ 2,5-bis(trifluoromethyl)benzaldehyde (395-64-2)

Guidance literature:

With sulfuric acid; at 90 - 120 ℃;

upstream raw materials:

2,5-bis(trifluoromethyl)benzonitrile

2-phenoxynicotinic acid hydrazide

Downstream raw materials:

(E)-3-(2,5-Bis-trifluoromethyl-phenyl)-propenal

(E,E)-1,4-di(2,5-bis(trifluoromethyl)phenyl)-1,3-butadiene

N-{(1E)-[2,5-bis(trifluoromethyl)phenyl]methylene}-2-methylpropane-2-sulfiamide

2-methyl-4-(2',5'-ditrifluoromethylphenyl)-1,4-dihydropyridine-3,5,6-tricarboxylic acid triethyl ester