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503309-11-3

503309-11-3 Structure

503309-11-3 Structure
IdentificationMore
[Name]

2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
[CAS]

503309-11-3
[Synonyms]

2-FLUORO-4-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
AKOS BRN-0670
2-Fluoro-4-(Trifluoromethyl)Ph
[EINECS(EC#)]

225-734-0
[Molecular Formula]

C7H5BF4O2
[MDL Number]

MFCD03094995
[Molecular Weight]

207.92
[MOL File]

503309-11-3.mol
Chemical PropertiesBack Directory
[Melting point ]

113-115°C
[Boiling point ]

251.9±50.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,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)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29319090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID(503309-11-3)1HNMR
2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID(503309-11-3)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Fluoro-4-(trifluoromethyl)benzeneboronic acid, 97%(503309-11-3)
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