CAS No.68716-51-8,3,5-DICHLOROPHENYLBORONIC ACID, PINACOL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68716-51-8
Name:	3,5-DICHLOROPHENYLBORONIC ACID, PINACOL ESTER
Article Data:	41

Formula:	C₁₂H₁₅BCl₂O₂
Molecular Weight:	272.967
Synonyms:	1,3-Dichloro-5-(pinacolboryl)benzene;2-(3,5-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,5-Dichlorobenzeneboronic acid pinacol cyclic ester;Pinacol3,5-dichlorobenzene boronate;
Density:	1.2 g/cm³
Melting Point:	51.0 to 55.0 °C
Boiling Point:	351.1 °C at 760 mmHg
Flash Point:	166.1 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	18.46000
LogP:	3.29260

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Specification

This chemical is called 1,3,2-Dioxaborolane,2-(3,5-dichlorophenyl)-4,4,5,5-tetramethyl-, and its systematic name is 2-(3,5-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. With the molecular formula of C₁₂H₁₅BCl₂O₂, its molecular weight is 272.96. The CAS registry number of the chemical is 68716-51-8. Additionally, its product category is Heterocyclic Compounds.

Other characteristics of 1,3,2-Dioxaborolane,2-(3,5-dichlorophenyl)-4,4,5,5-tetramethyl- can be summarised as followings: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 18.46 Å²; (5)Index of Refraction: 1.52; (6)Molar Refractivity: 69.11 cm³; (7)Molar Volume: 227.3 cm³; (8)Polarizability: 27.39×10^-24cm³; (9)Surface Tension: 35.8 dyne/cm; (10)Density: 1.2 g/cm³; (11)Flash Point: 166.1 °C; (12)Enthalpy of Vaporization: 57.23 kJ/mol; (13)Boiling Point: 351.1 °C at 760 mmHg; (14)Vapour Pressure: 8.51E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2cc(B1OC(C)(C)C(O1)(C)C)cc(Cl)c2
2.InChI: InChI=1/C12H15BCl2O2/c1-11(2)12(3,4)17-13(16-11)8-5-9(14)7-10(15)6-8/h5-7H,1-4H3
3.InChIKey: HKSNHZBPIBSVGI-UHFFFAOYAH
4.Std. InChI: InChI=1S/C12H15BCl2O2/c1-11(2)12(3,4)17-13(16-11)8-5-9(14)7-10(15)6-8/h5-7H,1-4H3
5.Std. InChIKey: HKSNHZBPIBSVGI-UHFFFAOYSA-N