871332-97-7

Basic information

• Product Name: 3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
• Synonyms: 3-METHOXY-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID;3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID;3-Methoxy-5-(trifluoromethyl)benzeneboronic acid 98%;3-Methoxy-5-(trifluoromethyl)benzeneboronicacid98%;5-Methoxy-3-trifluoromethylbenzeneboronic acid;3-Methoxy-5-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)
• CAS NO: 871332-97-7
• Molecular Formula: C₈H₈BF₃O₃
• Molecular Weight: 219.95
• Product Categories: blocks;BoronicAcids;FluoroCompounds
• Mol File: 871332-97-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 159-162
• Boiling Point: 318.3°C at 760 mmHg
• Flash Point: 146.3°C
• Appearance: White to off-white/Powder
• Density: 1.36g/cm³
• Vapor Pressure: 0.000152mmHg at 25°C
• Refractive Index: 1.464
• Storage Temp.: Keep Cold
• Water Solubility: Sparingly soluble in water 0.42 g/L @ 25°C.
• CAS DataBase Reference: 3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID(871332-97-7)
• EPA Substance Registry System: 3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID(871332-97-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 871332-97-7(Hazardous Substances Data)

Usage

Uses

3-Methoxy-5-(trifluoromethyl)benzeneboronic acid is used as a pharmaceutical intermediate.

InChI:InChI=1/C8H8BF3O3/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3

Upstream product

• 479411-93-3 2-(3-methoxy-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 454-90-0 3-(trifluoromethyl)anisole 

Downstream Products

• 1198181-43-9 ethyl (2E)-3-{5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate 

Relevant articles and documents

One-pot synthesis of arylboronic acids and aryl trifluoroborates by Ir-catalyzed borylation of arenes

(Chemical Equation Presented) The synthesis of arylboronic acids and aryl trifluoroborates in a one-pot sequence by Ir-calalyzed borylation of arenes is reported. To prepare the arylboronic acids, the Ir-catalyzed borylation is followed by oxidative cleavage of the boronic ester with NaIO4. To prepare the aryltrifluoroborate, the Ir-catalyzed borylation is followed by displacement of pinacol by KHF2. These two-step sequences give products that are more reactive toward subsequent chemistry than the initially formed pinacol boronates.