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| CAS No.: | 16681-56-4 |
|---|---|
| Name: | 2-Bromo-1H-imidazole |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C3H3BrN2 |
| Molecular Weight: | 146.974 |
| Synonyms: | 16681-56-4 |
| Density: | 1.904 g/cm3 |
| Melting Point: | 174-182 °C |
| Boiling Point: | 273.1 °C at 760 mmHg |
| Flash Point: | 119 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-41-22 |
| Safety: | 26-36/37/39 |
| PSA: | 28.68000 |
| LogP: | 1.17220 |
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Specification
The 2-Bromo-1H-imidazole, with the CAS registry number 16681-56-4, is also known as ZINC02577854. It belongs to the product categories of Halide; Blocks; Bromides; Imidazoles; Halides; Imidazoles & Benzimidazoles; Imidazole; Imidaxoles; Imidazoles & Benzimidazoles; Halogenated Heterocycles; Heterocyclic Building Blocks; Imidazoles Building Blocks; Building Blocks. This chemical's molecular formula is C3H3BrN2 and molecular weight is 146.97. Its IUPAC name is called 2-bromo-1H-imidazole.
Physical properties of 2-Bromo-1H-imidazole: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 18.495; (4)ACD/KOC (pH 7.4): 22.069; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)Index of Refraction: 1.602; (8)Molar Refractivity: 26.467 cm3; (9)Molar Volume: 77.164 cm3; (10)Surface Tension: 56.463 dyne/cm; (11)Density: 1.905 g/cm3; (12)Flash Point: 118.996 °C; (13)Enthalpy of Vaporization: 51.147 kJ/mol; (14)Boiling Point: 273.149 °C at 760 mmHg; (15)Vapour Pressure: 0.006 mmHg at 25°C.
Uses of 2-Bromo-1H-imidazole: it can be used to produce bis(2-bromoimidazole)boronium chloride at temperature of 20 °C. This reaction will need solvent tetrahydrofuran with reaction time of 6 hours. The yield is about 67%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. 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: C1=CN=C(N1)Br
(2)InChI: InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
(3)InChIKey: AXHRGVJWDJDYPO-UHFFFAOYSA-N