3-Methyl-1H-indazole-5-bonic acid pinacol ester supplier

Name
3-METHYL-5-PINACOLATOBORYL-INDAZOLE
EINECS
CAS No. 864771-17-5
Article Data6
CAS DataBase
Density 1.13 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉BN₂O₂
Boiling Point 416.7 °C at 760 mmHg
Molecular Weight 258.128
Flash Point 205.8 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;
PSA 47.14000
LogP 2.17050

3-Methyl-1H-indazole-5-bonic acid pinacol ester Specification

The 3-Methyl-1H-indazole-5-bonic acid pinacol ester, with CAS registry number 864771-17-5, belongs to the following product category: Indazole. It has the systematic name of 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.And the chemical formula of this chemical is C₁₄H₁₉BN₂O₂.

Physical properties of 3-Methyl-1H-indazole-5-bonic acid pinacol ester: (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: 1.558; (6)Molar Refractivity: 73.36 cm³; (7)Molar Volume: 227.2 cm³; (8)Polarizability: 29.08×10^-24cm³; (9)Surface Tension: 42.9 dyne/cm; (10)Enthalpy of Vaporization: 64.4 kJ/mol; (11)Vapour Pressure: 9.03E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2cc3c(C)nnc3cc2
(2)InChI: InChI=1/C14H19BN2O2/c1-9-11-8-10(6-7-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
(3)InChIKey: YTYTZKVFIGWLKK-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C14H19BN2O2/c1-9-11-8-10(6-7-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
(5)Std. InChIKey: YTYTZKVFIGWLKK-UHFFFAOYSA-N

Product Name

3-METHYL-5-PINACOLATOBORYL-INDAZOLE

3-Methyl-1H-indazole-5-bonic acid pinacol ester Specification

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