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CAS No.: | 134896-34-7 |
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Name: | 2-PROPOXYPHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C9H13BO3 |
Molecular Weight: | 180.011 |
Synonyms: | Boronicacid, (2-propoxyphenyl)- (9CI);2-Propoxybenzeneboronic acid;2-Propoxyphenylboronic acid; |
Density: | 1.1 g/cm3 |
Melting Point: | 65-69 °C(lit.) |
Boiling Point: | 339.9 °C at 760 mmHg |
Flash Point: | 159.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 49.69000 |
LogP: | 0.15520 |
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The Boronic acid,B-(2-propoxyphenyl)- is an organic compound with the formula C9H13BO3. The systematic name of this chemical is (2-propoxyphenyl)boronic acid. With the CAS registry number 134896-34-7, it is also named as 2-(n-Propoxy)benzeneboronic acid. The product's categories are Blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives.
Physical properties about Boronic acid,B-(2-propoxyphenyl)- are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.57; (3)ACD/LogD (pH 7.4): 2.54; (4)ACD/BCF (pH 5.5): 52.58; (5)ACD/BCF (pH 7.4): 49.42; (6)ACD/KOC (pH 5.5): 593.31; (7)ACD/KOC (pH 7.4): 557.65; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 27.69 Å2; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 48.91 cm3; (14)Molar Volume: 162.4 cm3; (15)Polarizability: 19.39×10-24cm3; (16)Surface Tension: 40.7 dyne/cm; (17)Density: 1.1 g/cm3; (18)Flash Point: 159.4 °C; (19)Enthalpy of Vaporization: 61.57 kJ/mol; (20)Boiling Point: 339.9 °C at 760 mmHg; (21)Vapour Pressure: 3.46E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1B(O)O)CCC
(2)InChI: InChI=1/C9H13BO3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6,11-12H,2,7H2,1H3
(3)InChIKey: ZDPMWYOVDLDQDT-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H13BO3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6,11-12H,2,7H2,1H3
(5)Std. InChIKey: ZDPMWYOVDLDQDT-UHFFFAOYSA-N