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

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Name

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

EINECS N/A
CAS No. 850689-27-9 Density 1.13 g/cm3
PSA 70.78000 LogP 1.93580
Solubility N/A Melting Point N/A
Formula C14H20BNO4 Boiling Point 432 °C at 760 mmHg
Molecular Weight 277.128 Flash Point 215.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 850689-27-9 (Methyl 3-Amino-5-boronobenzoate, pinacol ester) Hazard Symbols N/A
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;

Article Data 3

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

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