1-Isoindolinone-6-boronic acid pinacol ester supplier

Name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one
EINECS
CAS No. 1004294-80-7
Article Data11
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₈BNO₃
Boiling Point 466.838 °C at 760 mmHg
Molecular Weight 259.113
Flash Point 236.136 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one;
PSA 47.56000
LogP 1.55800

1-Isoindolinone-6-boronic acid pinacol ester Specification

The CAS register number of 1-Isoindolinone-6-boronic acid pinacol ester is 1004294-80-7. It also can be called as 1H-Isoindol-1-one,2,3-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- and the systematic name about this chemical is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one. The molecular formula about this chemical is C₁₄H₁₈BNO₃and the molecular weight is 258.14.

Physical properties about 1-Isoindolinone-6-boronic acid pinacol ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 47.56Å²; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 70.43 cm³; (7)Molar Volume: 222.8 cm³; (8)Polarizability: 27.92x10^-24cm³; (9)Surface Tension: 40.5 dyne/cm; (10)Flash Point: 236.1 °C; (11)Enthalpy of Vaporization: 72.87 kJ/mol; (12)Boiling Point: 466.8 °C at 760 mmHg; (13)Vapour Pressure: 6.85E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)C(=O)NC3
(2)InChI: InChI=1/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-6-5-9-8-16-12(17)11(9)7-10/h5-7H,8H2,1-4H3,(H,16,17)
(3)InChIKey: BUORFAFSDKNVNY-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-6-5-9-8-16-12(17)11(9)7-10/h5-7H,8H2,1-4H3,(H,16,17)
(5)Std. InChIKey: BUORFAFSDKNVNY-UHFFFAOYSA-N

Product Name

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one

1-Isoindolinone-6-boronic acid pinacol ester Specification

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