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| CAS No.: | 193353-34-3 |
|---|---|
| Name: | 2,5-Difluorophenylboronic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5BF2O2 |
| Molecular Weight: | 157.912 |
| Synonyms: | 2,5-Difluorobenzeneboronic acid; |
| EINECS: | -0 |
| Density: | 1.35 g/cm3 |
| Melting Point: | 105-110 °C(lit.) |
| Boiling Point: | 271.3 °C at 760 mmHg |
| Flash Point: | 117.9 °C |
| Appearance: | white to light yellow crystalline powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26-36/37 |
| PSA: | 40.46000 |
| LogP: | -0.35540 |
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Standards and Recommendations
FTIR: To match standard
Specification
The 2,5-Difluorophenylboronic acid is an organic compound with the formula C6H5BF2O2. The IUPAC name of this chemical is (2,5-difluorophenyl)boronic acid. With the CAS registry number 193353-34-3, it is also named as Boronic acid, B-(2,5-difluorophenyl)-. The product's categories are Halide; Blocks; BoronicAcids; FluoroCompounds; Fluorobenzene; Boronic Acid; Aryl; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Boronic Acids; Boronic Acids and Derivatives. Besides, it is a white to light yellow crystalline powder, which should be stored in a closed cool and well-ventilated place.
Physical properties about 2,5-Difluorophenylboronic acid are: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 1.4; (4)ACD/BCF (pH 5.5): 12.62; (5)ACD/BCF (pH 7.4): 5.62; (6)ACD/KOC (pH 5.5): 212.67; (7)ACD/KOC (pH 7.4): 94.78; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.485; (13)Molar Refractivity: 33.51 cm3; (14)Molar Volume: 116.7 cm3; (15)Polarizability: 13.28×10-24cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 1.35 g/cm3; (18)Flash Point: 117.9 °C; (19)Enthalpy of Vaporization: 53.82 kJ/mol; (20)Boiling Point: 271.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00319 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(F)cc1B(O)O
(2)InChI: InChI=1/C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
(3)InChIKey: KTOJGSDLJNUAEP-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
(5)Std. InChIKey: KTOJGSDLJNUAEP-UHFFFAOYSA-N