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| CAS No.: | 105365-51-3 |
|---|---|
| Name: | 4-Butoxyphenylboronic Acid |
| Article Data: | 2 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C10H15BO3 |
| Molecular Weight: | 194.038 |
| Synonyms: | Boronicacid, (4-butoxyphenyl)- (9CI);4-Butoxyphenylboronic acid; |
| Density: | 1.085 g/cm3 |
| Melting Point: | 106-108 °C(lit.) |
| Boiling Point: | 342.285 °C at 760 mmHg |
| Flash Point: | 160.808 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | off-white solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 49.69000 |
| LogP: | 0.54530 |
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Specification
The CAS register number of 4-Butoxyphenylboronic Acid is 105365-51-3. It also can be called as (4-n-Butoxyphenyl)boronic acid and the IUPAC name about this chemical is (4-butoxyphenyl)boronic acid. It belongs to the following product categories, such as blocks, BoronicAcids, Boronic acids, Boronic acid, Aryl, Boronic Acids, Boronic Acids and Derivatives and so on.
Physical properties about 4-Butoxyphenylboronic Acid are: (1)ACD/LogP: 3.10; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 27.69Å2; (6)Index of Refraction: 1.51; (7)Molar Refractivity: 53.54 cm3; (8)Molar Volume: 178.8 cm3; (9)Polarizability: 21.22x10-24cm3; (10)Surface Tension: 40.2 dyne/cm; (11)Enthalpy of Vaporization: 61.85 kJ/mol; (12)Boiling Point: 342.3 °C at 760 mmHg; (13)Vapour Pressure: 2.92E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)B(O)O)CCCC
(2)InChI: InChI=1/C10H15BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
(3)InChIKey: QUPFQMXWFNJUNJ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H15BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
(5)Std. InChIKey: QUPFQMXWFNJUNJ-UHFFFAOYSA-N