Name: 3-AMINO-4-CHLOROPHENYLBORONIC ACID, PINACOL ESTER
SKU: 850567-56-5

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Basic Information

Molecular Structure:
CAS No.:	850567-56-5
Name:	3-AMINO-4-CHLOROPHENYLBORONIC ACID, PINACOL ESTER
Article Data:	3

Formula:	C₁₂H₁₇BClNO₂
Molecular Weight:	253.536
Synonyms:	2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-Amino-4-chlorophenylboronic acid, pinacol ester;
Density:	1.15 g/cm³
Melting Point:	142-144 ºC
Boiling Point:	361.5°C at 760 mmHg
Flash Point:	172.4°C
Hazard Symbols:	Xi
PSA:	44.48000
LogP:	2.80260

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Specification

The Benzenamine,2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 850567-56-5, is also known as 3-Amino-4-chlorophenylboronic acid, pinacol ester. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C₁₂H₁₇BClNO₂ and molecular weight is 253.53. What's more, its systematic name is 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Physical properties of Benzenamine,2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 3; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 44.48 Å²; (5)Index of Refraction: 1.53; (6)Molar Refractivity: 67.9 cm³; (7)Molar Volume: 219.5 cm³; (8)Polarizability: 26.91×10^-24cm³; (9)Surface Tension: 38.5 dyne/cm; (10)Density: 1.15 g/cm³; (11)Flash Point: 172.4 °C; (12)Enthalpy of Vaporization: 60.73 kJ/mol; (13)Boiling Point: 361.5 °C at 760 mmHg; (14)Vapour Pressure: 2.06E-05 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(c(c2)N)Cl
(2)InChI: InChI=1S/C12H17BClNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,15H2,1-4H3
(3)InChIKey: KHGJUVPQSMKNFA-UHFFFAOYSA-N