CAS No.188665-74-9,3-AMINOCARBONYLPHENYLBORONIC ACID, PINACOL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	188665-74-9
Name:	3-AMINOCARBONYLPHENYLBORONIC ACID, PINACOL ESTER
Article Data:	4

Formula:	C₁₃H₁₈BNO₃
Molecular Weight:	247.102
Synonyms:	3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;
Density:	1.11 g/cm³
Melting Point:	192-194 °C
Boiling Point:	384.6 °C at 760 mmHg
Flash Point:	186.4 °C
Appearance:	white
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	61.55000
LogP:	1.78500

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Specification

The Benzamide, 3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-, with the CAS registry number 188665-74-9, is also known as 3-Aminocarbonylphenylboronic acid pinacol ester. This chemical's molecular formula is C₁₃H₁₈BNO₃ and molecular weight is 247.1. What's more, its IUPAC name is 3-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)benzamide.

Physical properties about Benzamide, 3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 38.77 Å²; (5)Index of Refraction: 1.523; (6)Molar Refractivity: 67.82 cm³; (7)Molar Volume: 221.8 cm³; (8)Polarizability: 26.88 ×10^-24 cm³; (9)Surface Tension: 39.1 dyne/cm; (10)Density: 1.11 g/cm³; (11)Flash Point: 186.4 °C; (12)Enthalpy of Vaporization: 63.33 kJ/mol; (13)Boiling Point: 384.6 °C at 760 mmHg; (14)Vapour Pressure: 4.03E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)c2cc(B1OC(C)(C)C(O1)(C)C)ccc2
(2) InChI: InChI=1/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H2,15,16)
(3) InChIKey: BPKIPHYWHVOWMS-UHFFFAOYAZ