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CAS No.: | 40138-17-8 |
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Name: | 2-Formyl-5-methylphenylboronic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H9BO3 |
Molecular Weight: | 163.969 |
Synonyms: | Boronicacid, (2-formyl-5-methylphenyl)- (9CI);m-Tolueneboronic acid, 6-formyl- (7CI);2-Formyl-5-methylphenylboronic acid; |
Density: | 1.2g/cm3 |
Boiling Point: | 375.3 °C at 760 mmHg |
Flash Point: | 180.8 °C |
Hazard Symbols: | Xi |
PSA: | 57.53000 |
LogP: | -0.51270 |
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The 2-Formyl-5-methylphenylboronic acid is an organic compound with the formula C8H9BO3. The IUPAC name of this chemical is (2-formyl-5-methylphenyl)boronic acid. With the CAS registry number 40138-17-8, it is also named as boronic acid, B-(2-formyl-5-methylphenyl)-. The product's categories are Aldehyde; Aryl; Organoborons; Boronic Acid.
Physical properties about 2-Formyl-5-methylphenylboronic acid are: (1)ACD/LogP: 1.47; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 35.53 Å2; (6)Index of Refraction: 1.54; (7)Molar Refractivity: 42.88 cm3; (8)Molar Volume: 136.5 cm3; (9)Polarizability: 16.99×10-24cm3; (10)Surface Tension: 46.8 dyne/cm; (11)Density: 1.2 g/cm3; (12)Flash Point: 180.8 °C; (13)Enthalpy of Vaporization: 65.7 kJ/mol; (14)Boiling Point: 375.3 °C at 760 mmHg; (15)Vapour Pressure: 2.68E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1B(O)O)C
(2)InChI: InChI=1/C8H9BO3/c1-6-2-3-7(5-10)8(4-6)9(11)12/h2-5,11-12H,1H3
(3)InChIKey: MMKCZTKFYDEERR-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H9BO3/c1-6-2-3-7(5-10)8(4-6)9(11)12/h2-5,11-12H,1H3
(5)Std. InChIKey: MMKCZTKFYDEERR-UHFFFAOYSA-N