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CAS No.: | 40972-86-9 |
---|---|
Name: | 2,3-Dimethoxyphenylboronic acid |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H11BO4 |
Molecular Weight: | 181.984 |
Synonyms: | Boronicacid, (2,3-dimethoxyphenyl)- (9CI);(2,3-Dimethoxyphenyl)boronic acid;2,3-Dimethoxybenzeneboronic acid; |
EINECS: | -0 |
Density: | 1.19 g/cm3 |
Melting Point: | 67-71 °C(lit.) |
Boiling Point: | 347.9 °C at 760 mmHg |
Flash Point: | 164.2 °C |
Appearance: | Off-white crystal |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 58.92000 |
LogP: | -0.61640 |
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The Boronicacid, B-(2,3-dimethoxyphenyl)-, with the CAS registry number 40972-86-9, is also known as 2,3-Dimethoxybenzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Boronic Acid series; Aryl; Organoborons; Boronic Acids and Derivatives. This chemical's molecular formula is C8H11BO4 and molecular weight is 181.98. What's more, its systematic name is (2,3-dimethoxyphenyl)boronic acid. It should be sealed and stored in a cool and dry place.
Physical properties of Boronicacid, B-(2,3-dimethoxyphenyl)- are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.98; (6)ACD/BCF (pH 7.4): 5.04; (7)ACD/KOC (pH 5.5): 125.17; (8)ACD/KOC (pH 7.4): 105.52; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 46.01 cm3; (15)Molar Volume: 151.8 cm3; (16)Polarizability: 18.24×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 164.2 °C; (20)Enthalpy of Vaporization: 62.5 kJ/mol; (21)Boiling Point: 347.9 °C at 760 mmHg; (22)Vapour Pressure: 1.97E-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(B(O)O)c1OC)C
(2)Std. InChI: InChI=1S/C8H11BO4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5,10-11H,1-2H3
(3)Std. InChIKey: VREWSCMOGIXMDQ-UHFFFAOYSA-N