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1H-Pyrazole,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- (269410-08-4)

Identification
Name:1H-Pyrazole,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Synonyms:1H-Pyrazole-4-boronicacid pinacol ester;4,4,5,5-Tetramethyl-2-(1H-pyrazol-2-yl)-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-(pyrazol-4-yl)-1,3,2-dioxaborolane;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;Pyrazol-4-ylboronicacid pinacol ester;
CAS:269410-08-4
EINECS: -0
Molecular Formula: C9H15BN2O2
Molecular Weight: 194.04
InChI: InChI=1/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3,(H,11,12)
Molecular Structure: (C9H15BN2O2) 1H-Pyrazole-4-boronicacid pinacol ester;4,4,5,5-Tetramethyl-2-(1H-pyrazol-2-yl)-1,3,2-dioxaborolane;...
Properties
Flash Point: 156.6°C
Boiling Point: 335.4°Cat760mmHg
Density:1.09g/cm3
Refractive index:1.487
Water Solubility:insoluble
Solubility:insoluble
Appearance:Off-white to tan powder
Specification:

The IUPAC name of 1H-Pyrazole,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole. With the CAS registry number 269410-08-4, it is also named as 1H-Pyrazole-4-boronic acid, pinacol ester. The product's categories are Pyrazole Series; API Intermediates; Boronic acid. It is off-white to tan powder which is insoluble in water. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (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: 1.487; (6)Molar Refractivity: 51.18 cm3; (7)Molar Volume: 177.841 cm3; (8)Polarizability: 20.29×10-24 cm3; (9)Surface Tension: 37.054 dyne/cm; (10)Flash Point: 156.628 °C; (11)Enthalpy of Vaporization: 55.549 kJ/mol; (12)Boiling Point: 335.373 °C at 760 mmHg; (13)Vapour Pressure: 0 mmHg at 25°C; (14)Rotatable Bond Count: 1; (15)Exact Mass: 194.122658; (16)MonoIsotopic Mass: 194.122658; (17)Topological Polar Surface Area: 47.1; (18)Heavy Atom Count: 14; (19)Complexity: 217.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:B1(OC(C(O1)(C)C)(C)C)c2c[nH]nc2
2. InChI:InChI=1/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3,(H,11,12)

Flash Point: 156.6°C
Safety Data
Hazard Symbols Xi:Irritant
 

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