Boronic acid,B-(4-ethoxy-3-methylphenyl)- supplier

Name
4-ETHOXY-3-METHYLPHENYLBORONIC ACID
EINECS
CAS No. 850568-08-0
Density 1.11 g/cm³
Solubility
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
Appearance
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;
PSA 49.69000
LogP 0.07350

Boronic acid,B-(4-ethoxy-3-methylphenyl)- Specification

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

Product Name

4-ETHOXY-3-METHYLPHENYLBORONIC ACID

Boronic acid,B-(4-ethoxy-3-methylphenyl)- Specification

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