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| CAS No.: | 87199-14-2 |
|---|---|
| Name: | 2-Hydroxymethylphenylboronic acid |
| Molecular Structure: | |
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| Formula: | C7H9BO3 |
| Molecular Weight: | 151.958 |
| Synonyms: | 2-Hydroxymethylphenylboronic acid;o-(Hydroxymethyl)phenylboronic acid; |
| Density: | 1.258 g/cm3 |
| Boiling Point: | 379.753 °C at 760 mmHg |
| Flash Point: | 183.468 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | Off-white Crystal |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 60.69000 |
| LogP: | -1.14130 |
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Standards and Recommendations
Specification
The Boronic acid,B-[2-(hydroxymethyl)phenyl]-, with the CAS registry number 87199-14-2, is also known as o-(Hydroxymethyl)phenylboronic acid. It belongs to the product categories of Boronic Acid series; Boronic acids; Boronic Acid; Aryl; Organoborons. This chemical's molecular formula is C7H9BO3 and molecular weight is 151.96. What's more, its systematic name is [2-(Hydroxymethyl)phenyl]boronic acid. This chemical is used as chemical materials and pharmaceutical intermediates.
Physical properties of Boronic acid,B-[2-(hydroxymethyl)phenyl]- are: (1)ACD/LogP: 0.296; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.30; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 34.50; (8)ACD/KOC (pH 7.4): 32.39; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.69 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 39.448 cm3; (15)Molar Volume: 120.833 cm3; (16)Polarizability: 15.639×10-24cm3; (17)Surface Tension: 53.64 dyne/cm; (18)Density: 1.258 g/cm3; (19)Flash Point: 183.468 °C; (20)Enthalpy of Vaporization: 66.226 kJ/mol; (21)Boiling Point: 379.753 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical 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 to wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ccccc1B(O)O
(2)Std. InChI: InChI=1S/C7H9BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9-11H,5H2
(3)Std. InChIKey: AFHOBSCDNXGFMO-UHFFFAOYSA-N