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| CAS No.: | 10111-08-7 |
|---|---|
| Name: | Imidazole-2-carboxaldehyde |
| Molecular Structure: | |
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| Formula: | C4H4N2O |
| Molecular Weight: | 96.0886 |
| Synonyms: | Imidazole-2-carboxaldehyde(7CI,8CI);2-Formylimidazole;2-Imidazolecarbaldehyde;2-Imidazolylformaldehyde;1H-Imidazole-2-carboxaldehyde; |
| EINECS: | -0 |
| Density: | 1.322 g/cm3 |
| Melting Point: | 209 °C (dec.)(lit.) |
| Boiling Point: | 296.5 °C at 760 mmHg |
| Flash Point: | 137.5 °C |
| Solubility: | Soluble in water. |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39-3 |
| PSA: | 45.75000 |
| LogP: | 0.22220 |
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Specification
The Imidazole-2-carboxaldehyde, with the CAS registry number 10111-08-7, has is also called Imidazole-2-carbaldehyde. It is a kind of organics, and belongs to the following product categories: Aldehydes; blocks; Imidazoles; Imidazoles & Benzimidazoles; Imidazole; Imidazol&Benzimidazole; Imidaxoles; Imidazoles & Benzimidazoles; Building Blocks; Heterocyclic Building Blocks. And the molecular formula of the chemical is C4H4N2O. What's more, it should be stored at 2-8°C.
The physical properties of Imidazole-2-carboxaldehyde are as following: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.75; (8)ACD/KOC (pH 7.4): 15.78; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 25.53 cm3; (15)Molar Volume: 72.6 cm3; (16)Polarizability: 10.12×10-24cm3; (17)Surface Tension: 64.7 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 137.5 °C; (20)Enthalpy of Vaporization: 53.63 kJ/mol; (21)Boiling Point: 296.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00143 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep in a cool place; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1nccn1
(2)InChI: InChI=1/C4H4N2O/c7-3-4-5-1-2-6-4/h1-3H,(H,5,6)
(3)InChIKey: XYHKNCXZYYTLRG-UHFFFAOYAX