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Cas Database |
| Name |
2-Bromo-4,5-dichloro-1-[(pentyloxy)methyl]-1H-imidazole |
EINECS | N/A |
| CAS No. | 136480-53-0 | Density | 1.56 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H13BrCl2N2O | Boiling Point | 380 °C at 760mmHg |
| Molecular Weight | 316.025 | Flash Point | 183.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Article Data | 1 |
2-Bromo-4,5-dichloro-1-[(pentyloxy)methyl]-1H-imidazole Specification
The IUPAC name of this product is 2-bromo-4,5-dichloro-1-(pentoxymethyl)imidazole. With the CAS registry number 136480-53-0, it is also named as 1H-Imidazole,2-bromo-4,5-dichloro-1-[(pentyloxy)methyl]-. In addition, the price of 2-Bromo-4,5-dichloro-1-[(pentyloxy)methyl]-1H-imidazole changes with the market.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 998.46; (6)ACD/BCF (pH 7.4): 998.46; (7)ACD/KOC (pH 5.5): 4881.14; (8)ACD/KOC (pH 7.4): 4881.14; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 66.44 cm3; (13)Molar Volume: 201.3 cm3; (14)Polarizability: 26.34×10-24 cm3; (15)Surface Tension: 42.4 dyne/cm; (16)Enthalpy of Vaporization: 62.81 kJ/mol; (17)Vapour Pressure: 5.62E-06 mmHg at 25°C; (18)Rotatable Bond Count: 6; (19)Exact Mass: 313.958831; (20)MonoIsotopic Mass: 313.958831; (21)Topological Polar Surface Area: 27; (22)Heavy Atom Count: 15.
People can use the following data to convert to the molecule structure.
1. SMILES: Brc1nc(Cl)c(Cl)n1COCCCCC;
2. InChI: InChI=1/C9H13BrCl2N2O/c1-2-3-4-5-15-6-14-8(12)7(11)13-9(14)10/h2-6H2,1H3.
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