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Boronic acid,B-(5-fluoro-2-hydroxyphenyl)-

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Name

Boronic acid,B-(5-fluoro-2-hydroxyphenyl)-

EINECS N/A
CAS No. 259209-20-6 Density 1.42 g/cm3
PSA 60.69000 LogP -0.78890
Solubility N/A Melting Point 160-166 °C
Formula C6H6BFO3 Boiling Point 347.1 °C at 760mmHg
Molecular Weight 155.921 Flash Point 163.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 259209-20-6 (4-FLUORO-2-HYDROXYPHENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (5-fluoro-2-hydroxyphenyl)- (9CI);2-Hydroxy-5-fluorophenylboronic acid;5-Fluoro-2-hydroxyphenylboronic acid;

Article Data 4

Boronic acid,B-(5-fluoro-2-hydroxyphenyl)- 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

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