| Identification | |
| Name: | 2-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran |
| Synonyms: | (2-Butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-;(2-Butyl-5-nitrobenzofuran-3-yl)(4-hydroxyphenyl)methanone;Dron-5 |
| CAS: | 141645-16-1 |
| Molecular Formula: | C19H17NO5 |
| Molecular Weight: | 339.34 |
| InChI: | InChI=1/C19H17NO5/c1-2-3-4-17-18(19(22)12-5-8-14(21)9-6-12)15-11-13(20(23)24)7-10-16(15)25-17/h5-11,21H,2-4H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.302 g/cm3 |
| Refractive index: | 1.636 |
| Appearance: | Pale yellow solid |
| Specification: |
The systematic name of this chemical is (2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone. With the CAS registry number 141645-16-1, it is also named as methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-. And this chemical is pale yellow solid which is used as intermediate of dronedarone hydrochloride. In addition, (2-Butyl-5-nitrobenzofuran-3-yl)(4-hydroxyphenyl)methanone must be sealed in the container. The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 4385; (6)ACD/BCF (pH 7.4): 2232; (7)ACD/KOC (pH 5.5): 14027; (8)ACD/KOC (pH 7.4): 7140; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 93.43 cm3; (14)Molar Volume: 260.561 cm3; (15)Polarizability: 37.039×10-24 cm3; (16)Surface Tension: 55.562 dyne/cm; (17)Density: 1.302 g/cm3; (18)Flash Point: 292.158 °C; (19)Enthalpy of Vaporization: 87.318 kJ/mol; (20)Boiling Point: 559.472 °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 | |
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