CAS No.850567-49-6,(2-Amino-4-methoxycarbonylphenyl)boronic acid pinacol ester hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	850567-49-6
Name:	(2-Amino-4-methoxycarbonylphenyl)boronic acid pinacol ester hydrochloride

Formula:	C₁₄H₂₀BNO₄^.HCl
Molecular Weight:	313.58
Synonyms:	Benzoicacid, 3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester,hydrochloride (9CI);
Melting Point:	92-94 °C
Boiling Point:	440.5 °C at 760 mmHg
Flash Point:	220.2 °C
Hazard Symbols:	Xi
PSA:	70.78000
LogP:	2.73780

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Specification

The cas register number of (2-Amino-4-methoxycarbonylphenyl)boronic acid pinacol ester hydrochloride is 850567-49-6. It also can be called as 2-Amino-4-(methoxycarbonyl)benzeneboronic acid pinacol ester hydrochloride and the Systematic name about this chemical is methyl 3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate hydrochloride. It belongs to the following product categories, such as blocks, BoronicAcids and so on.

Physical properties about (2-Amino-4-methoxycarbonylphenyl)boronic acid pinacol ester hydrochloride are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 70.78Å²; (5)Flash Point: 220.2 °C; (6)Enthalpy of Vaporization: 71.11 kJ/mol; (7)Boiling Point: 440.5 °C at 760 mmHg; (8)Vapour Pressure: 3.64E-08 mmHg at 25°C .

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2N)C(=O)OC.Cl
(2)InChI: InChI=1/C14H20BNO4.ClH/c1-13(2)14(3,4)20-15(19-13)10-7-6-9(8-11(10)16)12(17)18-5;/h6-8H,16H2,1-5H3;1H
(3)InChIKey: HEBCDUUNEDAXAA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C14H20BNO4.ClH/c1-13(2)14(3,4)20-15(19-13)10-7-6-9(8-11(10)16)12(17)18-5;/h6-8H,16H2,1-5H3;1H
(5)Std. InChIKey: HEBCDUUNEDAXAA-UHFFFAOYSA-N