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| CAS No.: | 850568-00-2 |
|---|---|
| Name: | 4-FLUORO-2-HYDROXYPHENYLBORONIC ACID |
| Molecular Structure: | |
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| Formula: | C6H6BFO3 |
| Molecular Weight: | 155.921 |
| Synonyms: | Boronicacid, (4-fluoro-2-hydroxyphenyl)- (9CI);2-Hydroxy-4-fluorophenylboronic acid;4-Fluoro-2-hydroxyphenylboronic acid; |
| Density: | 1.42 g/cm3 |
| Melting Point: | 176-180 °C |
| Boiling Point: | 323.2 °C at 760 mmHg |
| Flash Point: | 149.3 °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 Boronic acid,B-(4-fluoro-2-hydroxyphenyl)-, with the CAS registry number 850568-00-2, is also known as 4-Fluoro-2-hydroxyphenyl-moronic cid. It belongs to the product categories of Blocks; Boronic Acids; Fluoro Compounds. This chemical's molecular formula is C6H6BFO3 and molecular weight is 155.92. What's more, its systematic name is called (4-Fluoro-2-hydroxyphenyl)boronic acid.
Physical properties about Boronic acid,B-(4-fluoro-2-hydroxyphenyl)- are: (1) ACD/LogP: 1.30; (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) Surface Tension: 52.8 dyne/cm; (11) Density: 1.42 g/cm3; (12) Flash Point: 149.3 °C; (13) Enthalpy of Vaporization: 59.65 kJ/mol; (14) Boiling Point: 323.2 °C at 760 mmHg; (15) Vapour Pressure: 0.00011 mmHg at 25 °C; (16) Melting Point: 176-180 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(O)c(B(O)O)cc1
(2) InChI: InChI=1/C6H6BFO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9-11H
(3) InChIKey: KOFNQIAWWVBBJZ-UHFFFAOYAM