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| CAS No.: | 90555-66-1 |
|---|---|
| Name: | 3-ETHOXYPHENYLBORONIC ACID |
| Molecular Structure: | |
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| Formula: | C8H11BO3 |
| Molecular Weight: | 165.985 |
| Synonyms: | Benzeneboronicacid, m-ethoxy- (7CI);Boronic acid, (3-ethoxyphenyl)- (9CI);3-Ethoxybenzeneboronic acid; |
| Density: | 1.13 g/cm3 |
| Melting Point: | 139-146 °C(lit.) |
| Boiling Point: | 328.3 °C at 760 mmHg |
| Flash Point: | 152.3 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 49.69000 |
| LogP: | -0.23490 |
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Specification
The Boronic acid,B-(3-ethoxyphenyl)-, with the CAS registry number 90555-66-1, is also known as 3-Ethoxybenzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Boronic Acid; B (Classes of Boron Compounds); Aryl; Boronic Acids and Derivatives. This chemical's molecular formula is C8H11BO3 and molecular weight is 165.98. What's more, its systematic name is (3-ethoxyphenyl)boronic acid. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.
Physical properties of Boronic acid,B-(3-ethoxyphenyl)- are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 20.72; (6)ACD/BCF (pH 7.4): 17.58; (7)ACD/KOC (pH 5.5): 304.5; (8)ACD/KOC (pH 7.4): 258.38; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 44.28 cm3; (15)Molar Volume: 146 cm3; (16)Polarizability: 17.55×10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 152.3 °C; (20)Enthalpy of Vaporization: 60.24 kJ/mol; (21)Boiling Point: 328.3 °C at 760 mmHg; (22)Vapour Pressure: 7.74E-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, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cccc(c1)B(O)O)CC
(2)Std. InChI: InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3
(3)Std. InChIKey: CHCWUTJYLUBETR-UHFFFAOYSA-N