Benzoic acid, 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester supplier

Name
Methyl 3-Amino-5-boronobenzoate, pinacol ester
EINECS
CAS No. 850689-27-9
Article Data3
CAS DataBase
Density 1.13 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₀BNO₄
Boiling Point 432 °C at 760 mmHg
Molecular Weight 277.128
Flash Point 215.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester;Methyl 3-Amino-5-boronobenzoate, pinacol ester;Methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;
PSA 70.78000
LogP 1.93580

Benzoic acid, 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester Specification

The Benzoic acid, 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester, with the CAS registry number 850689-27-9, is also known as Methyl 3-Amino-5-boronobenzoate, pinacol ester. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C₁₄H₂₀BNO₄ and molecular weight is 277.12. What's more, its systematic name is methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.

Physical properties of Benzoic acid, 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 70.78 Å²; (5)Index of Refraction: 1.52; (6)Molar Refractivity: 74.18 cm³; (7)Molar Volume: 243.8 cm³; (8)Polarizability: 29.4×10^-24cm³; (9)Surface Tension: 40.1 dyne/cm; (10)Density: 1.13 g/cm³; (11)Flash Point: 215.1 °C; (12)Enthalpy of Vaporization: 68.77 kJ/mol; (13)Boiling Point: 432 °C at 760 mmHg; (14)Vapour Pressure: 1.15E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)N)C(=O)OC
(2)InChI: InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8H,16H2,1-5H3
(3)InChIKey: LXWQXFHXYBUCJX-UHFFFAOYSA-N

Product Name

Methyl 3-Amino-5-boronobenzoate, pinacol ester

Benzoic acid, 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester Specification

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