Name: 1,3,5-TRIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
SKU: 844891-04-9

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Basic Information

Molecular Structure:
CAS No.:	844891-04-9
Name:	1,3,5-TRIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
Article Data:	1

Formula:	C₁₂H₂₁BN₂O₂
Molecular Weight:	236.122
Synonyms:	(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronicacid pinacol ester;1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-(1,3,5-Trimethylpyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;
Density:	1.04 g/cm³
Melting Point:	91-93 °C
Boiling Point:	335.7 °C at 760 mmHg
Flash Point:	156.8 °C
Hazard Symbols:	Xi,Xn
Risk Codes:	36/37/38-22
Safety:	26-36/37/39-36-22
PSA:	36.28000
LogP:	1.33610

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Specification

The CAS register number of 1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester is 844891-04-9. It also can be called as 1H-pyrazole, 1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- and the systematic name about this chemical is 1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole. The molecular formula about this chemical is C₁₂H₂₁BN₂O₂and the molecular weight is 236.12.

Physical properties about 1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester are: (1)#H bond acceptors: 4; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 36.28Å²; (4)Index of Refraction: 1.503; (5)Molar Refractivity: 67.14 cm³; (6)Molar Volume: 226.8 cm³; (7)Polarizability: 26.61x10^-24cm³; (8)Surface Tension: 29.7 dyne/cm; (9)Enthalpy of Vaporization: 55.58 kJ/mol; (10)Boiling Point: 335.7 °C at 760 mmHg; (11)Vapour Pressure: 0.000229 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, it is harmful if swallowed. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need do not breathe dust. 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: O1B(OC(C)(C)C1(C)C)c2c(n(nc2C)C)C
(2)InChI: InChI=1/C12H21BN2O2/c1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13/h1-7H3
(3)InChIKey: IZNGYNMIIVJWSO-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H21BN2O2/c1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13/h1-7H3
(5)Std. InChIKey: IZNGYNMIIVJWSO-UHFFFAOYSA-N