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Cas Database |
| Name |
tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate |
EINECS | N/A |
| CAS No. | 161282-57-1 | Density | 1.08 g/cm3 |
| PSA | 48.30000 | LogP | 2.08380 |
| Solubility | N/A | Melting Point |
50-52 °C |
| Formula | C10H13NO3 | Boiling Point | 291.8 °C at 760 mmHg |
| Molecular Weight | 195.218 | Flash Point | 130.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
2-Formyl-1H-Pyrrole-1-carboxylicacid 1,1-dimethylethyl ester;2-Formylpyrrole-1-carboxylic acid tert-butylester;N-(1,1-Dimethylethoxycarbonyl)pyrrole-2-carboxaldehyde;N-Boc-pyrrole-2-carboxaldehyde;N-Butoxycarbonyl-1H-pyrrole-2-carboxaldehyde; |
Article Data | 23 |
tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate Specification
The tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate ,its cas register number is 161282-57-1.It also can be called as 2-Formylpyrrole-1-carboxylic acid tert-butyl ester and N-(1,1-Dimethylethoxycarbonyl)pyrrole-2-carboxaldehyde, the Systematic name about this chemicals is Tert-butyl 2-formyl-1H-pyrrole-1-carboxylate .
Following are the chemical properties about tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate :(1)#H bond acceptors: 4 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 48.3Å2 ; (5)Index of Refraction: 1.502 ; (6)Molar Refractivity: 53.1 cm3 ; (7)Molar Volume: 179.6 cm3 ; (8)Surface Tension: 36.8 dyne/cm ; (9)Enthalpy of Vaporization: 53.13 kJ/mol ; (10)Vapour Pressure: 0.0019 mmHg at 25°C
This chemicals can be described computed from structure:
(1)SMILES: O=C(OC(C)(C)C)n1c(ccc1)C=O
(2)InChI: InChI=1/C10H13NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h4-7H,1-3H3
(3)InChIKey: NSHLHMBABZKJHP-UHFFFAOYAZ
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