| Identification | |
| Name: | 1H-Indole-1-carboxylicacid, 4-nitro-, 1,1-dimethylethyl ester |
| Synonyms: | 1-Boc-4-nitroindole;4-Nitroindole, N-BOC protected 97%;tert-Butyl 4-nitro-1H-indole-1-carboxylate; |
| CAS: | 913836-24-5 |
| Molecular Formula: | C13H14N2O4 |
| Molecular Weight: | 262.26 |
| InChI: | InChI=1/C13H14N2O4/c1-13(2,3)19-12(16)14-8-7-9-10(14)5-4-6-11(9)15(17)18/h4-8H,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.26 g/cm3 |
| Refractive index: | 1.581 |
| Specification: |
The 1-Boc-4-nitroindole with the CAS number 913836-24-5 is also called 1H-Indole-1-carboxylicacid, 4-nitro-, 1,1-dimethylethyl ester. The systematic name is tert-butyl 4-nitroindole-1-carboxylate. Its molecular formula is C13H14N2O4. This chemical belongs to the following product categories: (1)Blocks; (2)IndolesOxindoles; (3)Indole. It is irritant. While using this chemical, you should be very cautious. The properties of the 1-Boc-4-nitroindole are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59 ; (5)#H bond acceptors: 6; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 77.05 Å2; (9)Index of Refraction: 1.581; (10)Molar Refractivity: 69.19 cm3; (11)Molar Volume: 207.5 cm3; (12)Polarizability: 27.42×10-24cm3; (13)Surface Tension: 46.9 dyne/cm; (14)Enthalpy of Vaporization: 64.54 kJ/mol; (15)Vapour Pressure: 1.86×10-6 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Safety Data | |
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