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CAS No.: | 235426-31-0 |
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Name: | 2-BROMO-1,5-DIMETHYL-1H-IMIDAZOLE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H7BrN2 |
Molecular Weight: | 175.028 |
Synonyms: | 2-Bromo-1,5-dimethyl-1h-imidazole; |
Density: | 1.58 g/cm3 |
Melting Point: | 40-42 °C |
Boiling Point: | 253.6 °C at 760 mmHg |
Flash Point: | 107.1 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 17.82000 |
LogP: | 1.49100 |
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The 1H-Imidazole,2-bromo-1,5-dimethyl-, with the CAS registry number of 235426-31-0, is also known as 2-Bromo-1,5-dimethyl-1h-imidazole. It belongs to the product categories of Blocks; Bromides; Imidazoles. This chemical's molecular formula is C5H7BrN2 and molecular weight is 175.03. What's more, its IUPAC name is 2-Bromo-1,5-dimethylimidazole.
Physical properties about the 1H-Imidazole,2-bromo-1,5-dimethyl- are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.82 Å2; (7)Index of Refraction: 1.589; (8)Molar Refractivity: 37.23 cm3; (9)Molar Volume: 110.4 cm3; (10)Surface Tension: 38.3 dyne/cm; (11)Density: 1.58 g/cm3; (12)Flash Point: 107.1 °C; (13)Enthalpy of Vaporization: 49.1 kJ/mol; (14)Boiling Point: 253.6 °C at 760 mmHg; (15)Vapour Pressure: 0.0181 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ncc(n1C)C
(2) InChI: InChI=1/C5H7BrN2/c1-4-3-7-5(6)8(4)2/h3H,1-2H3
(3) InChIKey: CQONRJOUCSSFLX-UHFFFAOYAJ