6-Isoquinolinyl-boronic acid supplier

Name
6-Isoquinolinyl-boronic acid
EINECS -0
CAS No. 899438-92-7
Density 1.28 g/cm³
Solubility
Melting Point
Formula C₉H₈BNO₂
Boiling Point 419.1 °C at 760 mmHg
Molecular Weight 172.979
Flash Point 207.3 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, 6-isoquinolinyl- (9CI);[Isoquinolin-6-yl]boronic acid;
PSA 53.35000
LogP -0.08540

6-Isoquinolinyl-boronic acid Specification

The 6-Isoquinolinyl-boronic acid, with CAS registry number 899438-92-7, belongs to the following product categories: (1)Isoquinoline; (2)Organoborons. It has the systematic name of 6-isoquinolylboronic acid. Its molecular weight is 172.9763. And the chemical formula of this chemical is C₉H₈BNO₂.

Physical properties of 6-Isoquinolinyl-boronic acid: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 53.35 Å²; (9)Index of Refraction: 1.644; (10)Molar Refractivity: 48.64 cm³; (11)Molar Volume: 134.2 cm³; (12)Polarizability: 19.28×10^-24cm³; (13)Surface Tension: 59.1 dyne/cm; (14)Density: 1.28 g/cm³; (15)Flash Point: 207.3 °C; (16)Enthalpy of Vaporization: 70.93 kJ/mol; (17)Boiling Point: 419.1 °C at 760 mmHg; (18)Vapour Pressure: 8.96E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc2cnccc2c1)(O)O
(2)InChI: InChI=1/C9H8BNO2/c12-10(13)9-2-1-8-6-11-4-3-7(8)5-9/h1-6,12-13H
(3)InChIKey: OBUOMTRFSCUDKS-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H8BNO2/c12-10(13)9-2-1-8-6-11-4-3-7(8)5-9/h1-6,12-13H
(5)Std. InChIKey: OBUOMTRFSCUDKS-UHFFFAOYSA-N

Product Name

6-Isoquinolinyl-boronic acid

6-Isoquinolinyl-boronic acid Specification

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