Name: 4-Amino-2-chlorophenylboronic acid, pinacol ester
SKU: 877160-63-9

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Basic Information

Molecular Structure:
CAS No.:	877160-63-9
Name:	4-Amino-2-chlorophenylboronic acid, pinacol ester
Article Data:	9

Formula:	C12H17 B Cl N O2
Molecular Weight:	253.536
Synonyms:	[3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amine;
Density:	1.15g/cm³
Boiling Point:	374.5°C at 760 mmHg
Flash Point:	180.3°C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	44.48000
LogP:	2.80260

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Specification

The 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,with the CAS registry number 877160-63-9,is also known as pinacol ester .It belongs to the product categories of heterocyclic compound.This chemical's molecular formula is C₁₂H₁₇BClNO₂ and molecular weight is 253.53.

Physical properties about 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline are:(1)#H bond acceptors: 3;(2)#H bond donors: 2;(3)#Freely Rotating Bonds: 2;(4)Index of Refraction: 1.53;(5)Molar Refractivity: 67.902 cm³;(6)Molar Volume: 219.553 cm³;(7)Polarizability: 26.918 10-24cm³;(8)Surface Tension: 38.5139999389648;(9)dyne/cm Density: 1.155 g/cm³;(10)Flash Point: 180.31 °C;(11)Enthalpy of Vaporization: 62.193 kJ/mol;(12)Boiling Point: 374.53 °C at 760 mmHg;(13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CC1(C)OB(OC1(C)C)c2ccc(N)cc2Cl;
(2)Std.InChI:InChI=1S/C12H17BClNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7H,15H2,1-4H3;
(3)Std.InChIKey:YKQXROMICPMQBZ-UHFFFAOYSA-N;