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CAS No.: | 862723-42-0 |
---|---|
Name: | INDAZOLE-5-BORONIC ACID PINACOL ESTER |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C13H17BN2O2 |
Molecular Weight: | 244.101 |
Synonyms: | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole; |
Density: | 1.154 g/cm3 |
Boiling Point: | 404.123 °C at 760 mmHg |
Flash Point: | 198.207 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37 |
PSA: | 47.14000 |
LogP: | 1.86210 |
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The 1H-Indazole, 5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-, with the CAS registry number of 862723-42-0, is also known as 1H-Indazole-5-boronic acid pinacol ester and Indazole-5-boronic acid pinacol ester. This chemical's molecular formula is C13H17BN2O2 and molecular weight is 244.1. What's more, its IUPAC name is 5-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1H-indazole.
Physical properties about 1H-Indazole, 5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 47.14 Å2; (5)Index of Refraction: 1.564; (6)Molar Refractivity: 68.738 cm3; (7)Molar Volume: 211.475 cm3; (8)Polarizability: 27.25×10-24 cm3; (9)Surface Tension: 43.683 dyne/cm; (10)Density: 1.154 g/cm3; (11)Flash Point: 198.207 °C; (12)Enthalpy of Vaporization: 63 kJ/mol; (13)Boiling Point: 404.123 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)cn[nH]3
(2) InChI: InChI=1/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11/h5-8H,1-4H3,(H,15,16)
(3) InChIKey: SAGPUUKLGWNGOS-UHFFFAOYAW