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| CAS No.: | 162101-25-9 |
|---|---|
| Name: | 2,6-Difluorophenylboronic acid |
| Article Data: | 7 |
| Cas Database | |
| Molecular Structure: | |
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|
|
| Formula: | C6H5BF2O2 |
| Molecular Weight: | 157.912 |
| Synonyms: | 2,6-Difluorophenyl boronic acid; |
| EINECS: | -0 |
| Density: | 1.35 g/cm3 |
| Melting Point: | 147-149 °C |
| Boiling Point: | 260.1 °C at 760 mmHg |
| Flash Point: | 111.1 °C |
| Appearance: | White to off-white crystalline powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-36-37/39 |
| PSA: | 40.46000 |
| LogP: | -0.35540 |
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Specification
The CAS register number of 2,6-Difluorophenylboronic acid is 162101-25-9. It also can be called as Boronic acid, B-(2,6-difluorophenyl)- and the IUPAC name about this chemical is (2,6-difluorophenyl)boronic acid. The molecular formula about this chemical is C6H5BF2O2 and the molecular weight is 157.91. It belongs to the following product categories, such as Halide; blocks; BoronicAcids; FluoroCompounds; Substituted Boronic Acids; Fluorobenzene; Boronic Acid; Aryl; Halogenated; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Boronic Acids; Boronic Acids and Derivatives and so on. This chemical is organic reagents, pharmaceutical intermediates, pharmaceutical intermediates and it can be used as intermediates of liquid crystals. If you want to store this chemical, please keep it in a closed container and store it in a dry, cool place.
Physical properties about 2,6-Difluorophenylboronic acid are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.73; (3)ACD/LogD (pH 7.4): 1.65; (4)ACD/BCF (pH 5.5): 12.13; (5)ACD/BCF (pH 7.4): 10.22; (6)ACD/KOC (pH 5.5): 207.6; (7)ACD/KOC (pH 7.4): 174.83; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46Å2; (12)Index of Refraction: 1.485; (13)Molar Refractivity: 33.51 cm3; (14)Molar Volume: 116.7 cm3; (15)Polarizability: 13.28x10-24cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Enthalpy of Vaporization: 52.59 kJ/mol; (18)Boiling Point: 260.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00635 mmHg at 25°C.
Uses of 2,6-Difluorophenylboronic acid: it can be used to produce potassium 2,6-difluorophenyltrifluoroborate at temperature of 20 ℃. This reaction is a kind of Fluorination. It will need reagent K[HF2] and solvent methanol, H2O with reaction time of 1 hours. The yield is about 82%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(F)c1B(O)O
(2)InChI: InChI=1/C6H5BF2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
(3)InChIKey: DBZAICSEFBVFHL-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H5BF2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
(5)Std. InChIKey: DBZAICSEFBVFHL-UHFFFAOYSA-N