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| CAS No.: | 259209-20-6 |
|---|---|
| Name: | 4-FLUORO-2-HYDROXYPHENYLBORONIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C6H6BFO3 |
| Molecular Weight: | 155.921 |
| Synonyms: | Boronicacid, (5-fluoro-2-hydroxyphenyl)- (9CI);2-Hydroxy-5-fluorophenylboronic acid;5-Fluoro-2-hydroxyphenylboronic acid; |
| Density: | 1.42 g/cm3 |
| Melting Point: | 160-166 °C |
| Boiling Point: | 347.1 °C at 760mmHg |
| Flash Point: | 163.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 60.69000 |
| LogP: | -0.78890 |
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Specification
The systematic name of Boronic acid,B-(5-fluoro-2-hydroxyphenyl)- is (5-fluoro-2-hydroxyphenyl)boronic acid. With the CAS registry number 259209-20-6, it is also named as 2-Borono-4-fluorophenol. The product's categories are Halide; Blocks; Boronic Acids; Fluoro Compounds; Aryl; Organoborons. The formula is C6H6BFO3 and the molecular weight is 155.92.
The other characteristics of Boronic acid,B-(5-fluoro-2-hydroxyphenyl)- can be summarized as: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.552; (8)Molar Refractivity: 34.92 cm3; (9)Molar Volume: 109.1 cm3; (10)Polarizability: 13.84×10-24 cm3; (11)Surface Tension: 52.8 dyne/cm; (12)Density: 1.42 g/cm3; (13)Flash Point: 163.7 °C; (14)Enthalpy of Vaporization: 62.4 kJ/mol; (15)Boiling Point: 347.1 °C at 760 mmHg; (16)Vapour Pressure: 2.08E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:Fc1ccc(O)c(B(O)O)c1
2. InChI:InChI=1/C6H6BFO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
3. InChIKey:TWDQSJDFXUMAOI-UHFFFAOYAV
4. Std. InChI:InChI=1S/C6H6BFO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
5. Std. InChIKey:TWDQSJDFXUMAOI-UHFFFAOYSA-N