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| CAS No.: | 957062-84-9 |
|---|---|
| Name: | 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C13H18BNO4 |
| Molecular Weight: | 263.101 |
| Synonyms: | 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane; |
| Density: | 1.13 g/cm3 |
| Boiling Point: | 378.9 °C at 760 mmHg |
| Flash Point: | 182.9 °C |
| PSA: | 64.28000 |
| LogP: | 2.72560 |
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Specification
The CAS registry number of 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)- is 957062-84-9. The systematic name is 4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane. In addition, the molecular formula is C13H18BNO4 and the molecular weight is 263.10. It belongs to the classes of Blocks; Boronic Acids; Nitro Compounds.
Physical properties about 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)- are: (1)#H bond acceptors: 5; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 64.28 Å2; (4)Index of Refraction: 1.514; (5)Molar Refractivity: 70.11 cm3; (6)Molar Volume: 232.7 cm3; (7)Polarizability: 27.79 ×10-24cm3; (8)Surface Tension: 37.8 dyne/cm; (9)Density: 1.13 g/cm3; (10)Flash Point: 182.9 °C; (11)Enthalpy of Vaporization: 60.22 kJ/mol; (12)Boiling Point: 378.9 °C at 760 mmHg; (13)Vapour Pressure: 1.33E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2cc(ccc2C)[N+]([O-])=O
(2)InChI: InChI=1/C13H18BNO4/c1-9-6-7-10(15(16)17)8-11(9)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3
(3)InChIKey: LYFUUPOOXAXEEP-UHFFFAOYAN