85068-33-3

Basic information

• Product Name: 3,5-Bis(trifluoromethyl)phenylacetic acid
• Synonyms: RARECHEM AL BO 0246;TIMTEC-BB SBB001068;MBT-PAA;2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ACETIC ACID;2-[3,5-DI(TRIFLUOROMETHYL)PHENYL]ACETIC ACID;3,5-BIS(TRIFLUOROMETHYL)PHENYLACETIC ACID;3,5-DI(TRIFLUOROMETHYL)PHENYLACETIC ACID;3,5-Bis(Trifluoromethyl)PhenylaceticAicid
• CAS NO: 85068-33-3
• Molecular Formula: C₁₀H₆F₆O₂
• Molecular Weight: 272.14
• EINECS: 285-295-6
• Product Categories: Fluorides;Acids and Derivatives;Aromatic Phenylacetic Acids and Derivatives;Miscellaneous;C10;Carbonyl Compounds;Carboxylic Acids;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Fluorine series
• Mol File: 85068-33-3.mol
• Article Data: 10

Chemical Properties

• Melting Point: 121-123 °C(lit.)
• Boiling Point: 227.7 °C at 760 mmHg
• Flash Point: 91.5 °C
• Appearance: white to beige powder
• Density: 1.4478 (estimate)
• Vapor Pressure: 0.0432mmHg at 25°C
• Solubility: methanol: soluble25mg/mL, clear, colorless
• PKA: 3.99±0.10(Predicted)
• BRN: 6813447
• CAS DataBase Reference: 3,5-Bis(trifluoromethyl)phenylacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Bis(trifluoromethyl)phenylacetic acid(85068-33-3)
• EPA Substance Registry System: 3,5-Bis(trifluoromethyl)phenylacetic acid(85068-33-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 85068-33-3(Hazardous Substances Data)

Usage

Chemical Properties

white to beige powder

Uses

3,5-Bis(trifluoromethyl)phenylacetic acid has been used:as building block to synthesize the pentaamine and bis-heterocyclic librariesin determination of ionic perfluorinated substances and telomers in leachates from landfills and sediment samples

InChI:InChI=1/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)/p-1

Upstream product

• 124-38-9 carbon dioxide 
• 32247-96-4 3,5-bis(trifluoromethyl)benzyl bromide 
• 88444-81-9 3,5-bis(trifluoromethyl)phenylacetylene 
• 85068-32-2 3,5-bis(trifluoromethyl)phenylacetonitrile 
• 328-73-4 3,5-bis(trifluoromethyl)iodobenzene 
• 64-19-7 acetic acid 
• 328-70-1 3,6-bis(trifluoromethyl)bromobenzene 
• 108-59-8 malonic acid dimethyl ester 
• 95299-16-4 methyl [3,5-bis(trifluoromethyl)-phenyl]-acetate 
• 785-56-8 3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride 
• 725-89-3 3,5-bistrifluoromethylbenzoic acid 

Downstream Products

• 374791-09-0 N-(4-Oxo-1-phenylcyclohexyl)-3,5-bis(trifluoromethyl)benzeneacetamide 
• 185108-03-6 (+,)-4-[[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-phenyl-1-[[[1-(phenylmethyl)-4-piperidinyl]amino]acetyl]piperazine 
• 93427-28-2 3,5-Bis(trifluoromethyl)-β-phenethyl alcohol 
• 289686-73-3 (RS)-α-Methyl-3,5-bis(trifluoromethyl)benzeneacetic Acid 
• 289686-70-0 α,α-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid 
• 144632-97-3 ethyl 2-(3,5-bis(trifluoromethyl)phenyl)acetate 
• 1161361-85-8 2-(3,5-bis(trifluoromethyl)phenyl)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acetamide 
• 927672-06-8 2-(3,5-bis-trifluoromethyl-phenyl)-N-[2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-ylmethyl]-acetamide 
• 1360789-01-0 2-(3,5-bis(trifluoromethyl)phenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)ethanone 
• 1439363-68-4 1-benzyl-4-(3,5-bis(trifluoromethyl)phenyl)-N-butyl-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrole-2-carboxamide 

Relevant articles and documents

Visible-Light-Enabled Carboxylation of Benzyl Alcohol Derivatives with CO2 Using a Palladium/Iridium Dual Catalyst

A highly efficient carboxylation of benzyl alcohol derivatives with CO2 using a palladium/iridium dual catalyst under visible-light irradiation was developed. A wide range of benzyl alcohol derivatives could be employed to provide benzylic carboxylic acids in moderate to high yields. Mechanistic studies indicated that the oxidative addition of benzyl alcohol derivatives was possibly the rate-determining-step. It was also found that a switchable site-selective carboxylation between benzylic C?O and aryl C?Cl moieties could be achieved simply by changing the palladium catalyst.

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