401-95-6

Basic information

• Product Name: 3,5-Bis(trifluoromethyl)benzaldehyde
• Synonyms: 3,5-BIS(TRIFLUOROMETHYL)BENZALDEHYDE;3,5-DI(TRIFLUOROMETHYL)BENZALDEHYDE;MBT-BAD;TIMTEC-BB SBB006661;3,5-diCF3-benzaldehyde radical;3,5-BIS(TRIFLUOROMETHYL)BENZALDEHYDE, 97 %;3,5-Bis(trifluoromethyl)benzaldehyde 98%;3,5-BSI(TRIFLUOROMETHYL)BENZALDEHYDE
• CAS NO: 401-95-6
• Molecular Formula: C₉H₄F₆O
• Molecular Weight: 242.12
• EINECS: 257-356-7
• Product Categories: Fluorides;Fluorin-contained benzaldehyde series;Fluorobenzene;Aromatic Aldehydes & Derivatives (substituted);Aldehydes;C9;Carbonyl Compounds;Building Blocks;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Fluorine series
• Mol File: 401-95-6.mol
• Article Data: 32

Chemical Properties

• Boiling Point: 37 °C1.3 mm Hg(lit.)
• Flash Point: 158 °F
• Appearance: Clear colorless to yellow/Liquid
• Density: 1.469 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.597mmHg at 25°C
• Refractive Index: n20/D 1.422(lit.)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility: Insoluble in water. Soluble in many organic solvents.
• Sensitive: Air Sensitive
• BRN: 1884058
• CAS DataBase Reference: 3,5-Bis(trifluoromethyl)benzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Bis(trifluoromethyl)benzaldehyde(401-95-6)
• EPA Substance Registry System: 3,5-Bis(trifluoromethyl)benzaldehyde(401-95-6)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• F: 10-21
• HazardClass: IRRITANT
• Hazardous Substances Data: 401-95-6(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to yellow liquid

Uses

3,5-Bis(trifluoromethyl)benzaldehyde was used in the synthesis of a series of meso-3,5-bis(trifluoromethyl)phenyl-substituted expanded porphyrins.

InChI:InChI=1/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H

Upstream product

• 328-70-1 3,6-bis(trifluoromethyl)bromobenzene 
• 122-51-0 orthoformic acid triethyl ester 
• 725-89-3 3,5-bistrifluoromethylbenzoic acid 
• 785-56-8 3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride 
• 75462-61-2 3,5-bis(trifluoromethyl)benzylchloride 
• 617-84-5 N-formyldiethylamine 
• 93-61-8 N-methyl-N-phenylformamide 
• 4394-85-8 4-morpholinecarboxaldehyde 
• 201230-82-2 carbon monoxide 
• 328-73-4 3,5-bis(trifluoromethyl)iodobenzene 
• 124-38-9 carbon dioxide 
• 32707-89-4 3,5-bis(trifluoromethyl)benzenemethanol 
• 329942-69-0 N-methoxy-N-methyl-3,5-bis(trifluoromethyl)benzamide 
• 85068-29-7 3,5-bis-trifluoromethylbenzylamine 

Downstream Products

• 34328-42-2 3,4-Dichlor-3',5'-bis(trifluormethyl)benzophenon 
• 157967-18-5 5-<3,5-bis(trifluoromethyl)phenyl>-2-(N-Bocamino)-1-(3-indolyl)-4-penten-3-one 
• 1026381-40-7 2-(3,5-Bis-trifluoromethyl-phenyl)-4,5-dimethyl-oxazole 3-oxide 

Relevant articles and documents

Enhanced catalytic activity of copper complexes in microgels for aerobic oxidation of benzyl alcohols

Catalytically active copper bis(pyrazolyl)methane complexes have been anchored into pVCL-GMA microgels on specified positions within the microgel network. Functionalized microgels act as nanoreactors providing a tailored environment and stabilization for

Preparation process of high-purity 3,5-bis(trifluoromethyl)benzyl alcohol

The invention discloses a preparation method of high-purity 3,5-bis(trifluoromethyl)benzyl alcohol, and belongs to the technical field of organic synthesis. The method comprises the steps: reacting a Grignard reagent generated by reaction of 3,5-bis(trifluoromethyl)bromobenzene and magnesium metal with a reagent capable of introducing an aldehyde group to obtain 3,5-bis(trifluoromethyl)benzaldehyde, and then reducing 3,5-bis(trifluoromethyl)benzaldehyde into 3,5-bis(trifluoromethyl)benzyl alcohol through sodium borohydride. The purity of the product obtained by the technical route is more than 99.5%, the maximum single impurity is not more than 0.1%, and the requirement on high-purity 3,5-bis(trifluoromethyl)benzyl alcohol in the market is met. Raw materials required by the process are easy to obtain, reaction conditions are mild, safety is high, production cost is low, and the method is suitable for industrialization.

Rhodium-catalyzed reductive carbonylation of aryl iodides to arylaldehydes with syngas

The reductive carbonylation of aryl iodides to aryl aldehydes possesses broad application prospects. We present an efficient and facile Rh-based catalytic system composed of the commercially available Rh salt RhCl3·3H2O, PPh3 as phosphine ligand, and Et3N as the base, for the synthesis of arylaldehydes via the reductive carbonylation of aryl iodides with CO and H2 under relatively mild conditions with a broad substrate range affording the products in good to excellent yields. Systematic investigations were carried out to study the experimental parameters. We explored the optimal ratio of Rh salt and PPh3 ligand, substrate scope, carbonyl source and hydrogen source, and the reaction mechanism. Particularly, a scaled-up experiment indicated that the catalytic method could find valuable applications in industrial productions. The low gas pressure, cheap ligand and low metal dosage could significantly improve the practicability in both chemical researches and industrial applications.