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| CAS No.: | 871126-21-5 |
|---|---|
| Name: | 4-ISOPROPOXY-2-METHYLPHENYLBORONIC ACID |
| Molecular Structure: | |
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| Formula: | C10H15BO3 |
| Molecular Weight: | 194.04 |
| Synonyms: | Boronicacid, [2-methyl-4-(1-methylethoxy)phenyl]- (9CI); |
| Density: | 1.08 g/cm3 |
| Melting Point: | 112-116 °C |
| Boiling Point: | 343 °C at 760 mmHg |
| Flash Point: | 161.3 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 49.69000 |
| LogP: | 0.46200 |
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- Total:26 Page 1 of 1 1
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Specification
The Boronic acid,B-[2-methyl-4-(1-methylethoxy)phenyl]- is an organic compound with the formula C10H15BO3. The systematic name of this chemical is [2-methyl-4-(1-methylethoxy)phenyl]boronic acid. With the CAS registry number 871126-21-5, it is also named as 4-Isopropoxy-2-methylphenylboronic acid. The product's categories are Blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives.
Physical properties about Boronic acid,B-[2-methyl-4-(1-methylethoxy)phenyl]- are: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 2.84; (3)ACD/LogD (pH 7.4): 2.83; (4)ACD/BCF (pH 5.5): 85.28; (5)ACD/BCF (pH 7.4): 82.43; (6)ACD/KOC (pH 5.5): 838.79; (7)ACD/KOC (pH 7.4): 810.73; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 27.69 Å2; (12)Index of Refraction: 1.509; (13)Molar Refractivity: 53.51 cm3; (14)Molar Volume: 179 cm3; (15)Polarizability: 21.21×10-24cm3; (16)Surface Tension: 38.7 dyne/cm; (17)Density: 1.08 g/cm3; (18)Flash Point: 161.3 °C; (19)Enthalpy of Vaporization: 61.94 kJ/mol; (20)Boiling Point: 343 °C at 760 mmHg; (21)Vapour Pressure: 2.77E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(c(cc1)B(O)O)C)C(C)C
(2)InChI: InChI=1/C10H15BO3/c1-7(2)14-9-4-5-10(11(12)13)8(3)6-9/h4-7,12-13H,1-3H3
(3)InChIKey: OEBXBUNQDNBWRP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H15BO3/c1-7(2)14-9-4-5-10(11(12)13)8(3)6-9/h4-7,12-13H,1-3H3
(5)Std. InChIKey: OEBXBUNQDNBWRP-UHFFFAOYSA-N