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| CAS No.: | 55499-44-0 |
|---|---|
| Name: | Boronic acid,B-(2,4-dimethylphenyl)- |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H11BO2 |
| Molecular Weight: | 149.985 |
| Synonyms: | M-XYLENE-4-BORONIC ACID;AKOS BRN-0225;2,4-DIMETHYLPHENYLBORONIC ACID;2,4-DIMETHYLBENZENEBORONIC ACID;2,4-Dimethylphenylboronic;2,4-Dimethylphenylboronic Acid (contains varying amounts of Anhydride);2,4-Dimethylphenylboronic acid ,98%;4-Borono-m-xylene |
| Density: | 1.07 g/cm3 |
| Melting Point: | 149.98 |
| Boiling Point: | 292.4 °C at 760 mmHg |
| Flash Point: | 130.7 °C |
| Solubility: | Slightly soluble in water |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 40.46000 |
| LogP: | -0.01680 |
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Specification
The 2,4-Dimethylphenylboronic acid, with the CAS registry number 55499-44-0, is also known as m-Xylene-4-boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Boronic Acids; Aryl; Organoborons; B (Classes of Boron Compounds); Boronic acid. This chemical's molecular formula is C8H11BO2 and molecular weight is 149.98274. Its IUPAC name is called (2,4-dimethylphenyl)boronic acid. The product should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of 2,4-Dimethylphenylboronic acid: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 2.51; (3)ACD/LogD (pH 7.4): 2.5; (4)ACD/BCF (pH 5.5): 47.53; (5)ACD/BCF (pH 7.4): 46.16; (6)ACD/KOC (pH 5.5): 552.03; (7)ACD/KOC (pH 7.4): 536.1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 42.53 cm3; (13)Molar Volume: 139.2 cm3; (14)Surface Tension: 39.1 dyne/cm; (15)Density: 1.07 g/cm3; (16)Flash Point: 130.7 °C; (17)Enthalpy of Vaporization: 56.18 kJ/mol; (18)Boiling Point: 292.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000838 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=C(C=C(C=C1)C)C)(O)O
(2)InChI: InChI=1S/C8H11BO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5,10-11H,1-2H3
(3)InChIKey: TYONHSPZXLFWKI-UHFFFAOYSA-N