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CAS No.: | 182344-14-5 |
---|---|
Name: | (3-FLUORO-4-HYDROXYPHENYL)BORONIC ACID |
Molecular Structure: | |
Formula: | C6H6BFO3 |
Molecular Weight: | 155.921 |
Synonyms: | Boronicacid, (3-fluoro-4-hydroxyphenyl)- (9CI);3-Fluoro-4-hydroxyphenylboronic acid; |
Density: | 1.42 g/cm3 |
Melting Point: | 252-256 °C |
Boiling Point: | 331.459 °C at 760 mmHg |
Flash Point: | 154.261 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 60.69000 |
LogP: | -0.78890 |
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The Boronic acid,B-(3-fluoro-4-hydroxyphenyl)-, with the CAS registry number 182344-14-5, is also known as 3-Fluoro-4-hydroxybenzeneboronic acid 97%. It belongs to the product categories of Halide; Blocks; Boronic Acids; Fluoro Compounds. This chemical's molecular formula is C6H6BFO3 and molecular weight is 155.919443. Its IUPAC name is called (3-fluoro-4-hydroxyphenyl)boronic acid. When you are using this chemical, please be cautious about it. You should not breathe its dust. In addition, you must avoid contacting it with skin and eyes.
Physical properties of Boronic acid,B-(3-fluoro-4-hydroxyphenyl)-: (1)ACD/LogP: 0.88; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 72; (7)ACD/KOC (pH 7.4): 52; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 34.93 cm3; (13)Molar Volume: 109.161 cm3; (14)Surface Tension: 52.815 dyne/cm; (15)Density: 1.428 g/cm3; (16)Flash Point: 154.261 °C; (17)Enthalpy of Vaporization: 60.603 kJ/mol; (18)Boiling Point: 331.459 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC(=C(C=C1)O)F)(O)O
(2)InChI: InChI=1S/C6H6BFO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9-11H
(3)InChIKey: OYNDLOJPYURCJG-UHFFFAOYSA-N