CAS No.400727-57-3,3-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	400727-57-3
Name:	3-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER
Article Data:	12

Formula:	C₁₅H₂₂BNO₃
Molecular Weight:	275.156
Synonyms:	4-(Dimethylcarbamoyl)benzeneboronic acid, pinacol ester;
Density:	1.06 g/cm³
Boiling Point:	406.2 °C at 760 mmHg
Flash Point:	199.5 °C
Hazard Symbols:	Xi
PSA:	38.77000
LogP:	1.68760

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Specification

The Benzamide,N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, also known as 4-(Dimethylcarbamoyl)benzeneboronic acid, pinacol ester, is the organic compound with the formula C₁₅H₂₂BNO₃. It belongs to the product category of Heterocyclic Compounds. With the CAS registry number 400727-57-3, its IUPAC name is N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzamide,N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-: (1)#H bond acceptors: 4; (2)#Freely Rotating Bonds: 2; (3)Index of Refraction: 1.513; (4)Molar Refractivity: 77.33 cm³; (5)Molar Volume: 257.2 cm³; (6)Surface Tension: 36.3 dyne/cm; (7)Density: 1.06 g/cm³; (8)Flash Point: 199.5 °C; (9)Enthalpy of Vaporization: 65.79 kJ/mol; (10)Boiling Point: 406.2 °C at 760 mmHg; (11)Vapour Pressure: 8.28E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N(C)C
(2)InChI: InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-9-7-11(8-10-12)13(18)17(5)6/h7-10H,1-6H3
(3)InChIKey: OZAOMJCDURFBGT-UHFFFAOYSA-N