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2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID

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2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID Basic information

Product Name:
2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
Synonyms:
  • 4-Borono-3-fluorobenzotrifluoride
  • 2-Fluoro-4-(trifluoroMethyl)phenylboronic Acid (contains varying aMounts of Anhydride)
  • 4-trifluoroMethyl-2-fluorophenylboronic acid
  • 2-Fluoro-4-(trifluoroMethyl)phenylboronic Acid 
  • 2-Fluoro-4-(trifluoroMethyl)boronic acid
  • BORONICACID, B-[2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]-
  • Fluoro-4-(trifluoroMethyl)phenylboroni
  • 2-FLUORO-4-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
CAS:
503309-11-3
MF:
C7H5BF4O2
MW:
207.92
EINECS:
225-734-0
Product Categories:
  • Boronic Acid
  • blocks
  • BoronicAcids
  • Aryl
  • Organoborons
Mol File:
503309-11-3.mol
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2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID Chemical Properties

Melting point:
113-115°C
Boiling point:
251.9±50.0 °C(Predicted)
Density 
1.44±0.1 g/cm3(Predicted)
storage temp. 
2-8°C
form 
powder to crystal
pka
7.62±0.58(Predicted)
color 
White to Light yellow
InChI
InChI=1S/C7H5BF4O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChIKey
SSFSVKVWAURAAM-UHFFFAOYSA-N
SMILES
B(C1=CC=C(C(F)(F)F)C=C1F)(O)O
CAS DataBase Reference
503309-11-3(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-20/21/22-36
Safety Statements 
26-36/37/39-36-37
WGK Germany 
WGK 3
HazardClass 
IRRITANT
HS Code 
29319090
Storage Class
11 - Combustible Solids
Hazard Classifications
Eye Irrit. 2
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2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID Usage And Synthesis

Chemical Properties

White crystalline powder

Uses

2-Fluoro-4-trifluoromethylphenylboronic acid

Synthesis

To a stirred solution of 5-bromo-2-(methylthio)pyrimidine (950 mg, 4.63 mmol) in DMF (5 mL) was added 4,4,4??,4??,5,5,5??,5??-octamethyl-2,2??-bis(1,3,2-dioxaborolane) (1.77 g, 6.95 mmol), potassium acetate (1.36 g , 13.90 mmol) and palladium diacetate (104 mg, 0.463 mol). The resulting suspension was degassed with argon for 15 minutes and then heated at 85??C overnight. The reaction mixture was allowed to cool to room temperature. EtOAc (10 mL) was added to the reaction mixture and the reaction mixture was washed with brine (15 mLx3). The organic phase was dried (MgSO4), filtered and concentrated to give 2-methylthiopyrimidine-5-boronic acid pinacol ester.

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