1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester supplier

Name
1,3,5-TRIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
EINECS
CAS No. 844891-04-9
Article Data1
CAS DataBase
Density 1.04 g/cm³
Solubility
Melting Point 91-93 °C
Formula C₁₂H₂₁BN₂O₂
Boiling Point 335.7 °C at 760 mmHg
Molecular Weight 236.122
Flash Point 156.8 °C
Transport Information
Appearance
Safety 26-36/37/39-36-22
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xi,Xn
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;
PSA 36.28000
LogP 1.33610

1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester 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

Product Name

1,3,5-TRIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE

1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester Specification

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