| Identification | |
| Name: | 2-Butyl-5-nitrobenzofuran |
| Synonyms: | 2-Butyl-5-nitro-benzofuran;2-Butyl-5-nitro-1-benzofuran;benzofuran, 2-butyl-5-nitro- |
| CAS: | 133238-87-6 |
| Molecular Formula: | C12H13NO3 |
| Molecular Weight: | 219.24 |
| InChI: | InChI=1/C12H13NO3/c1-2-3-4-11-8-9-7-10(13(14)15)5-6-12(9)16-11/h5-8H,2-4H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.191 |
| Refractive index: | 1.586 |
| Appearance: | Pale yellow to yellow liquid |
| Specification: |
The systematic name of this chemical is 2-butyl-5-nitro-1-benzofuran. With the CAS registry number 133238-87-6, it is also named as benzofuran, 2-butyl-5-nitro-. 2-Butyl-5-nitrobenzofuran is pale yellow to yellow liquid which is used as intermediate of dronedarone hydrochloride. In addition, it must be sealed in the container. The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1429; (6)ACD/BCF (pH 7.4): 1429; (7)ACD/KOC (pH 5.5): 6310; (8)ACD/KOC (pH 7.4): 6310; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 61.756 cm3; (14)Molar Volume: 184.016 cm3; (15)Polarizability: 24.482×10-24 cm3; (16)Surface Tension: 45.049 dyne/cm; (17)Density: 1.191 g/cm3; (18)Flash Point: 153.21 °C; (19)Enthalpy of Vaporization: 54.952 kJ/mol; (20)Boiling Point: 329.721 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C. People can use the following data to convert to the molecule structure. |
| Safety Data | |
 |
|
