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| Name |
Carbamicacid, [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,1,1-dimethylethyl ester (9CI) |
EINECS | N/A |
| CAS No. | 374595-05-8 | Density | 1.18 g/cm3 |
| PSA | 102.61000 | LogP | 3.83720 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H25BN2O6 | Boiling Point | 430.8 °C at 760 mmHg |
| Molecular Weight | 364.2 | Flash Point | 214.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Amino-5-nitrobenzeneboronic acid, pinacol ester N-BOC protected;tert-butyl [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate; |
Carbamicacid, [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,1,1-dimethylethyl ester (9CI) Specification
The Carbamicacid, [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,1,1-dimethylethyl ester (9CI), with the CAS registry number 374595-05-8, is also known as 3-Amino-5-nitrobenzeneboronic acid, pinacol ester N-BOC protected. It belongs to the product category of N-BOC. This chemical's molecular formula is C17H25BN2O6 and molecular weight is 364.2. What's more, its systematic name is tert-butyl [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate.
Physical properties of Carbamicacid, [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,1,1-dimethylethyl ester (9CI) are: (1)#H bond acceptors: 8; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 93.82 Å2; (5)Index of Refraction: 1.522; (6)Molar Refractivity: 94.15 cm3; (7)Molar Volume: 308.5 cm3; (8)Polarizability: 37.32×10-24 cm3; (9)Surface Tension: 42.4 dyne/cm; (10)Density: 1.18 g/cm3; (11)Flash Point: 214.4 °C; (12)Enthalpy of Vaporization: 68.64 kJ/mol; (13)Boiling Point: 430.8 °C at 760 mmHg; (14)Vapour Pressure: 1.26E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [O-][N+](=O)c2cc(B1OC(C)(C)C(O1)(C)C)cc(NC(=O)OC(C)(C)C)c2
(2)InChI: InChI=1/C17H25BN2O6/c1-15(2,3)24-14(21)19-12-8-11(9-13(10-12)20(22)23)18-25-16(4,5)17(6,7)26-18/h8-10H,1-7H3,(H,19,21)
(3)InChIKey: NZVDLOQTDZZSFL-UHFFFAOYAM
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