1H-Pyrrole,1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- supplier

Name
N-METHYLPYRROLE-2-BORONIC ACID, PINACOL ESTER
EINECS
CAS No. 850567-47-4
Article Data21
CAS DataBase
Density 0.99 g/cm³
Solubility
Melting Point 49-50 °C
Formula C₁₁H₁₈BNO₂
Boiling Point 296.9 °C at 760 mmHg
Molecular Weight 207.08
Flash Point 133.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole;1-Methyl-1H-pyrrole-2-boronic acid, pinacol ester;N-Methylpyrrole-2-boronic acid, pinacol ester;
PSA 23.39000
LogP 1.32430

1H-Pyrrole,1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Specification

The systematic name of 1H-Pyrrole,1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is 1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole. With the CAS registry number 850567-47-4, it is also named as N-Methylpyrrole-2-boronic acid, pinacol ester. The product's categories are Blocks; Boronic Acids; Heterocycles. It should be stored below -20°C. In addition, its molecular formula is C₁₁H₁₈BNO₂ and its molecular weight is 207.08.

The other characteristics of 1H-Pyrrole,1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- can be summarized as: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.39 Å²; (5)Index of Refraction: 1.487; (6)Molar Refractivity: 59.84 cm³; (7)Molar Volume: 207.7 cm³; (8)Polarizability: 23.72×10^-24cm³; (9)Surface Tension: 30 dyne/cm; (10)Density: 0.99 g/cm³; (11)Flash Point: 133.4 °C; (12)Melting Point: 49-50 °C; (13)Enthalpy of Vaporization: 51.53 kJ/mol; (14)Boiling Point: 296.9 °C at 760 mmHg; (15)Vapour Pressure: 0.00246 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2cccn2C
(2)InChI: InChI=1/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-6-8-13(9)5/h6-8H,1-5H3
(3)InChIKey: OEQQEXKRORJZPR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-6-8-13(9)5/h6-8H,1-5H3
(5)Std. InChIKey: OEQQEXKRORJZPR-UHFFFAOYSA-N

Product Name

N-METHYLPYRROLE-2-BORONIC ACID, PINACOL ESTER

1H-Pyrrole,1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Specification

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