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CAS No.: | 685103-98-4 |
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Name: | 4-Isoquinolineboronic acid pinacol ester |
Molecular Structure: | |
Formula: | C15H18BNO2 |
Molecular Weight: | 255.124 |
Synonyms: | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline; |
Density: | 1.1 g/cm3 |
Melting Point: | 98-102 °C(lit.) |
Boiling Point: | 397.5 °C at 760 mmHg |
Flash Point: | 194.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 31.35000 |
LogP: | 2.53400 |
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This chemical is called 4-Isoquinolineboronic acid pinacol ester, and its IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline. With the molecular formula of C15H18BNO2, its molecular weight is 255.12. The CAS registry number of this chemical is 685103-98-4, and its product categories are Heterocyclic Compounds; B (Classes of Boron Compounds); Boronic Acids Esters.
Other characteristics of the 4-Isoquinolineboronic acid pinacol ester can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 31.35 Å2; (5)Index of Refraction: 1.558; (6)Molar Refractivity: 74.81 cm3; (7)Molar Volume: 231.7 cm3; (8)Polarizability: 29.65×10-24cm3; (9)Surface Tension: 39.8 dyne/cm; (10)Density: 1.1 g/cm3; (11)Flash Point: 194.2 °C; (12)Enthalpy of Vaporization: 62.27 kJ/mol; (13)Boiling Point: 397.5 °C at 760 mmHg; (14)Vapour Pressure: 3.62E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O1B(OC(C)(C)C1(C)C)c3c2ccccc2cnc3
2.InChI: InChI=1/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-17-9-11-7-5-6-8-12(11)13/h5-10H,1-4H3
3.InChIKey: LOMKRPABAXIQJL-UHFFFAOYAE