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

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

Uses

Used in Pharmaceutical Industry:
3,5-Bis(trifluoromethyl)benzaldehyde is used as a key intermediate for the synthesis of a series of meso-3,5-bis(trifluoromethyl)phenyl-substituted expanded porphyrins, which have potential applications in the development of new drugs and therapeutic agents.
Used in Materials Science:
3,5-Bis(trifluoromethyl)benzaldehyde is used as a building block for the creation of novel materials with specific properties, such as expanded porphyrins, which can be utilized in various applications, including sensors, catalysts, and advanced materials for energy storage and conversion.

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

• 32707-89-4 3,5-bis(trifluoromethyl)benzenemethanol 
• 27126-93-8 3,5-bis(trifluoromethyl)benzonitrile 
• 328-70-1 3,6-bis(trifluoromethyl)bromobenzene 
• 122-51-0 orthoformic acid triethyl ester 
• 725-89-3 3,5-bistrifluoromethylbenzoic acid 
• 68-12-2 N,N-dimethyl-formamide 
• 402-31-3 1,3-bis(trifluoromethyl)benzene 
• 785-56-8 3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride 
• 107337-73-5 (3,5-bis(trifluoromethyl)phenyl)lithium 
• 175135-01-0 2-phenoxynicotinic acid hydrazide 
• 1002717-47-6 C₁₈H₈F₁₂ 
• 85068-29-7 3,5-bis-trifluoromethylbenzylamine 
• 329942-69-0 N-methoxy-N-methyl-3,5-bis(trifluoromethyl)benzamide 
• 124-38-9 carbon dioxide 

Downstream Products

• 55614-73-8 (E)-1-(3,5-Bis-trifluoromethyl-phenyl)-4,4-dimethyl-pent-1-en-3-one 
• 34328-42-2 3,4-Dichlor-3',5'-bis(trifluormethyl)benzophenon 
• 34328-43-3 3',4,5'-Tris(trifluormethyl)benzophenon 
• 157967-18-5 5-<3,5-bis(trifluoromethyl)phenyl>-2-(N-Bocamino)-1-(3-indolyl)-4-penten-3-one 
• 138226-18-3 1-<3,5-bis(trifluoromethyl)phenyl>-1H,3H-thiazolo<3,4-a>benzimidazole 
• 67810-63-3 2-(3,5-Bis-trifluoromethyl-phenyl)-indan-1,3-dione 
• 56990-06-8 C₁₇H₉F₆NO₄ 
• 38635-63-1 (E)-3-(3,5-Bis-trifluoromethyl-phenyl)-2-(2-nitro-4-trifluoromethyl-phenyl)-acrylic acid 
• 1026381-40-7 2-(3,5-Bis-trifluoromethyl-phenyl)-4,5-dimethyl-oxazole 3-oxide 
• 1025940-07-1 N-[(3,5-Bis-trifluoromethyl-phenyl)-p-tolylsulfanyl-methyl]-formamide 

Relevant articles and documents

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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.

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