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| CAS No.: | 53857-59-3 |
|---|---|
| Name: | 2,5-DIBROMO-1-METHYL-1H-IMIDAZOLE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C4H4Br2N2 |
| Molecular Weight: | 239.897 |
| Synonyms: | 2,5-Dibromo-1-methyl-1H-imidazole; |
| Density: | 2.22 g/cm3 |
| Melting Point: | 68-72 °C |
| Boiling Point: | 302.3 °C at 760 mmHg |
| Flash Point: | 136.6 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 17.82000 |
| LogP: | 1.94510 |
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- Total:28 Page 1 of 1 1
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Specification
The 2,5-Dibromo-1-methyl-imidazole, with the CAS registry number 53857-59-3, is also known as ZINC02382642. It belongs to the product categories of Blocks; Bromides; Imidazoles; Imidazol & Benzimidazole. This chemical's molecular formula is C4H4Br2N2 and molecular weight is 239.872077. Its IUPAC name is called 2,5-dibromo-1-methylimidazole.
Physical properties of 2,5-Dibromo-1-methyl-imidazole: (1)ACD/LogP: 1.99; (2)ACD/LogD (pH 5.5): 1.99; (3)ACD/LogD (pH 7.4): 1.99; (4)ACD/BCF (pH 5.5): 19.11; (5)ACD/BCF (pH 7.4): 19.12; (6)ACD/KOC (pH 5.5): 287.56; (7)ACD/KOC (pH 7.4): 287.65; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.671; (10)Molar Refractivity: 40.36 cm3; (11)Molar Volume: 107.8 cm3; (12)Surface Tension: 50.5 dyne/cm; (13)Density: 2.22 g/cm3; (14)Flash Point: 136.6 °C; (15)Enthalpy of Vaporization: 54.25 kJ/mol; (16)Boiling Point: 302.3 °C at 760 mmHg; (17)Vapour Pressure: 0.000999 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-bromo-1-methyl-1H-imidazole. This reaction will need reagent NBS and solvent CHCl3. The reaction time is 2 hours. The yield is about 80%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C(=CN=C1Br)Br
(2)InChI: InChI=1S/C4H4Br2N2/c1-8-3(5)2-7-4(8)6/h2H,1H3
(3)InChIKey: WVCRXJDDBGDCTA-UHFFFAOYSA-N