| Identification | |
| Name: | 1H-Pyrrole-1-carboxylicacid, 1,1-dimethylethyl ester |
| Synonyms: | Pyrrole-1-carboxylicacid, tert-butyl ester (7CI,8CI);1-(tert-Butoxycarbonyl)-1H-pyrrole;1-(tert-Butoxycarbonyl)pyrrole;1-Pyrrolecarboxylic acid tert-butyl ester;N-(tert-Butyloxycarbonyl)-1H-pyrrole;N-(tert-Butyloxycarbonyl)pyrrole;N-BOC-pyrrole;N-tert-Butoxycarbonyl-1H-pyrrole;N-tert-Butoxycarbonylpyrrole;tert-Butyl pyrrole-1-carboxylate; |
| CAS: | 5176-27-2 |
| Molecular Formula: | C9H13NO2 |
| Molecular Weight: | 167.21 |
| InChI: | InChI=1/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1 |
| Refractive index: | 1.4685 |
| Specification: |
The N-Boc-pyrrole with its cas register number is 5176-27-2. It also can be called as tert-Butyl 1-pyrrolecarboxylate and the IUPAC Name about this chemical is tert-butyl pyrrole-1-carboxylate. Physical properties about N-Boc-pyrrole are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2.42; (3)ACD/LogD (pH 7.4): 2.42; (4)ACD/BCF (pH 5.5): 40.75; (5)ACD/BCF (pH 7.4): 40.75; (6)ACD/KOC (pH 5.5): 494.47; (7)ACD/KOC (pH 7.4): 494.47; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 31.23Å2; (11)Index of Refraction: 1.485; (12)Molar Refractivity: 47.64 cm3; (13)Molar Volume: 166.1 cm3; (14)Polarizability: 18.88x10-24cm3; (15)Surface Tension: 33 dyne/cm; (16)Enthalpy of Vaporization: 45.96 kJ/mol; (17)Vapour Pressure: 0.0977 mmHg at 25°C. When you are using this chemical, please be cautious about it as the following: You can still convert the following datas into molecular structure: |
| Safety Data | |
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