| Identification | |
| Name: | 1H-Pyrrole,1-(4-bromophenyl)-2,5-dimethyl- |
| Synonyms: | Pyrrole,1-(p-bromophenyl)-2,5-dimethyl- (7CI,8CI);1-(4-Bromophenyl)-2,5-dimethylpyrrole; 2,5-Dimethyl-1-(4-bromophenyl)pyrrole;N-(p-Bromophenyl)-2,5-dimethylpyrrole |
| CAS: | 5044-24-6 |
| Molecular Formula: | C12H12BrN |
| Molecular Weight: | 250.1344 |
| InChI: | InChI=1/C12H12BrN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.31 g/cm3 |
| Refractive index: | 1.586 |
| Appearance: | powder |
| Specification: |
The IUPAC name of 1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole is 1-(4-Bromophenyl)-2,5-dimethylpyrrole. With the CAS registry number 5044-24-6, it is also named as 1H-Pyrrole,1-(4-bromophenyl)-2,5-dimethyl-. The product's molecular formula is C12H12BrN and its molecular weight is 250.13. In addition, it is powder, which should be stored in dark, sealed, cool and dry place. The other characteristics of 1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole can be summarized as: (1)ACD/LogP: 4.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.77; (4)ACD/LogD (pH 7.4): 4.77; (5)ACD/BCF (pH 5.5): 2492.42; (6)ACD/BCF (pH 7.4): 2492.42; (7)ACD/KOC (pH 5.5): 9395; (8)ACD/KOC (pH 7.4): 9395; (9)H bond acceptors: 1; (10)H bond donors: 0; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 63.89 cm3; (15)Molar Volume: 190.3 cm3; (16)Polarizability: 25.32×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 147.5 °C; (20)Melting Point: 75-77 °C; (21)Enthalpy of Vaporization: 53.95 kJ/mol; (22)Boiling Point: 320.2 °C at 760 mmHg; (23)Vapour Pressure: 0.000604 mmHg at 25 °C. People can use the following data to convert to the molecule structure. |
| Safety Data | |
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