| Identification | More | [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 Properties | Back 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 Data | Back Directory | [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 Information | Back 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 |
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