Isoquinoline-7-boronic acid supplier

Name
Isoquinoline-7-boronic acid
EINECS
CAS No. 1092790-21-0
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
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoquinoline-7-boronic acid;
PSA 53.35000
LogP -0.08540

Isoquinoline-7-boronic acid Specification

This chemical is called 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl), and its systematic name is isoquinolin-7-ylboronic acid. With the molecular formula of C₉H₈BNO₂, its molecular weight is 172.98. The CAS registry number of the chemical is 1092790-21-0.

Other characteristics of 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) can be summarised as followings: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 5.32; (6)ACD/BCF (pH 7.4): 3.29; (7)ACD/KOC (pH 5.5): 111.16; (8)ACD/KOC (pH 7.4): 68.81; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.35 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 48.64 cm³; (15)Molar Volume: 134.2 cm³; (16)Polarizability: 19.28×10^-24cm3; (17)Surface Tension: 59.1 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 207.3 °C; (20)Enthalpy of Vaporization: 70.93 kJ/mol; (21)Boiling Point: 419.1 °C at 760 mmHg; (22)Vapour Pressure: 8.96E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c1cc2cnccc2cc1
2.InChI: InChI=1/C9H8BNO2/c12-10(13)9-2-1-7-3-4-11-6-8(7)5-9/h1-6,12-13H
3.InChIKey: SVSZHSMOMDNMLS-UHFFFAOYAT
4.Std. InChI: InChI=1S/C9H8BNO2/c12-10(13)9-2-1-7-3-4-11-6-8(7)5-9/h1-6,12-13H
5.Std. InChIKey: SVSZHSMOMDNMLS-UHFFFAOYSA-N

Product Name

Isoquinoline-7-boronic acid

Isoquinoline-7-boronic acid Specification

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