4-Trifluoromethylphenylboronic acid

Details:

1. Introduction of 4-Trifluoromethylphenylboronic acid

4-Trifluoromethylphenylboronic acid (CAS NO.128796-39-4) is a similar white solid powder and commonly used as a intermediate in chemical industry. Our 4-Trifluoromethylphenylboronic acid is ≥98%(HPLC) and can be produced 10 metric ton per year. Besides, it is in stock and can be sent from the beijing port. Its FOB price of this chemical is 0-100000 USD/kilogram and min. order is 1 kilogram.

Other specification:

Appearance: Similar white solid powder
CAS NO.: 128796-39-4
Assay: ≥98%(HPLC)
Formula:    C₇H₆BF₃O₂
M.W.:       189.93
Feature:   Similar white powder,   mp 235-238°C
Packaging: 25KG/NET Fiber Drum with double lined plastic bag inside



Application:

Organic intermediate
Reagent used in the preparation of various biological inhibitors
Intermediates of Liquid Crystals
Used for suziki-coupling reaction

2. Basic information of 4-Trifluoromethylphenylboronic acid

1) Properties:

(1)H-Bond Donor: 2; (2)H-Bond Acceptor: 5; (3)Rotatable Bond Count: 1; (4)Exact Mass: 190.041294; (5)MonoIsotopic Mass: 190.041294; (6)Topological Polar Surface Area: 40.5; (7)Heavy Atom Count: 13; (8)Complexity: 164; (9)Covalently-Bonded Unit Count: 1.

2) Descriptors of Structure

IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid
InChI: InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H
InChIKey: ALMFIOZYDASRRC-UHFFFAOYSA-N
Canonical SMILES: B(C1=CC=C(C=C1)C(F)(F)F)(O)O

3) Application

4,4'-Bis-trifluoromethyl-biphenyl can be produced from the 4-Trifluoromethylphenylboronic acid. This reaction needs K₂CO₃, Phenyl acrylate dibromide, PdCl₂(dppb), Tetrahydrofuran and H₂O at temperature of 70 °C for 24 hours. The yield of it is 81 %. The detailed steps are as follows:



4) Safety Information:

Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 37/39-26-36
WGK Germany 3
Hazard Note Irritant