Basic Information | Post buying leads | Suppliers |
Name |
Boronic acid,B-(4-ethoxy-3-methylphenyl)- |
EINECS | N/A |
CAS No. | 850568-08-0 | Density | 1.11 g/cm3 |
PSA | 49.69000 | LogP | 0.07350 |
Solubility | N/A | Melting Point |
168-172 °C |
Formula | C9H13BO3 | Boiling Point | 333.1 °C at 760 mmHg |
Molecular Weight | 180.01 | Flash Point | 155.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, (4-ethoxy-3-methylphenyl)- (9CI);4-Ethoxy-3-methylphenylboronic acid;4-Ethoxy-3-methylbenzeneboronic acid; |
The systematic name of Boronic acid,B-(4-ethoxy-3-methylphenyl)- is (4-ethoxy-3-methylphenyl)boronic acid. With the CAS registry number 850568-08-0, it is also named as 4-Ethoxy-3-methylbenzeneboronic acid. The product's categories are Blocks; Boronic Acids. It should be stored in cold place. In addition, its molecular formula is C9H13BO3 and its molecular weight is 180.01.
The other characteristics of Boronic acid,B-(4-ethoxy-3-methylphenyl)- can be summarized as: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 46.44; (6)ACD/BCF (pH 7.4): 45.38; (7)ACD/KOC (pH 5.5): 542.92; (8)ACD/KOC (pH 7.4): 530.57; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 48.9 cm3; (15)Molar Volume: 162 cm3; (16)Polarizability: 19.38×10-24cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 155.2 °C; (20)Melting Point: 168-172 °C; (21)Enthalpy of Vaporization: 60.79 kJ/mol; (22)Boiling Point: 333.1 °C at 760 mmHg; (23)Vapour Pressure: 5.56E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O(c1ccc(cc1C)B(O)O)CC
(2)InChI: InChI=1/C9H13BO3/c1-3-13-9-5-4-8(10(11)12)6-7(9)2/h4-6,11-12H,3H2,1-2H3
(3)InChIKey: GAFSYSHEDOIUSI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H13BO3/c1-3-13-9-5-4-8(10(11)12)6-7(9)2/h4-6,11-12H,3H2,1-2H3
(5)Std. InChIKey: GAFSYSHEDOIUSI-UHFFFAOYSA-N