2-Methoxyquinoline-3-boronic acid supplier

Name
2-Methoxyquinoline-3-boronic acid
EINECS
CAS No. 886853-93-6
Article Data5
CAS DataBase
Density 1.29 g/cm³
Solubility
Melting Point 254 °C
Formula C₁₀H₁₀BNO₃
Boiling Point 414.2 °C at 760 mmHg
Molecular Weight 203.005
Flash Point 204.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (2-methoxy-3-quinolinyl)- (9CI);
PSA 62.58000
LogP -0.07680

2-Methoxyquinoline-3-boronic acid Specification

The Boronic acid,B-(2-methoxy-3-quinolinyl)-, with its CAS registry number 886853-93-6, has its systematic name of (2-methoxyquinolin-3-yl)boronic acid. And this chemical has its molecular formula of C₁₀H₁₀BNO₃. Then it belongs to the product categories of Blocks; BoronicAcids; Quinolines. Besides, it may cause inflammation to the skin or other mucous membranes, so you should be careful while using it.

Physical properties of Boronic acid,B-(2-methoxy-3-quinolinyl)-: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 14.61; (6)ACD/BCF (pH 7.4): 1.18; (7)ACD/KOC (pH 5.5): 226.92; (8)ACD/KOC (pH 7.4): 18.38; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.58 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 55 cm³; (15)Molar Volume: 156.4 cm³; (16)Polarizability: 21.8×10^-24cm³; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 204.3 °C; (20)Enthalpy of Vaporization: 70.34 kJ/mol; (21)Boiling Point: 414.2 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:OB(O)c1cc2ccccc2nc1OC
(2)Std. InChI:InChI=1S/C10H10BNO3/c1-15-10-8(11(13)14)6-7-4-2-3-5-9(7)12-10/h2-6,13-14H,1H3
(3)Std. InChIKey:WLOYLJRUEIVOJC-UHFFFAOYSA-N

Product Name

2-Methoxyquinoline-3-boronic acid

2-Methoxyquinoline-3-boronic acid Specification

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