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| CAS No.: | 68282-47-3 |
|---|---|
| Name: | 2-Phenyl-1H-imidazole-4-carboxaldehyde |
| Molecular Structure: | |
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| Formula: | C10H8N2O |
| Molecular Weight: | 172.186 |
| Synonyms: | 1H-Imidazole-4-carboxaldehyde,2-phenyl- (9CI);2-Phenyl-1H-imidazole-4-carboxaldehyde;2-Phenyl-1H-imidazole-5-carboxaldehyde;2-Phenyl-3H-imidazole-4-carboxaldehyde;2-Phenyl-4-formylimidazole;2-Phenyl-4-imidazolecarboxaldehyde;4-Formyl-2-phenylimidazole;2-phenyl-1H-imidazole-4- carbaldehyde; |
| Density: | 1.248 g/cm3 |
| Melting Point: | 167-169 ºC |
| Boiling Point: | 418.9 °C at 760 mmHg |
| Flash Point: | 208.7 °C |
| Hazard Symbols: | R21/22:Harmful in contact with skin and if swallowed.; |
| Risk Codes: | 21/22 |
| Safety: | 22-36/37/39 |
| PSA: | 45.75000 |
| LogP: | 1.88920 |
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Specification
The 2-Phenyl-1H-imidazole-4-carboxaldehyde, with the CAS registry number 68282-47-3, is also known as 2-Phenyl-1H-imidazole-4-carboxaldehyde. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C10H8N2O and formula weight is 172.18. What's more, its IUPAC name is 2-phenyl-1H-imidazole-5-carbaldehyde.
Physical properties of 2-Phenyl-1H-imidazole-4-carboxaldehyde are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/BCF (pH 5.5): 5.72; (5)ACD/BCF (pH 7.4): 5.74; (6)ACD/KOC (pH 5.5): 121.07; (7)ACD/KOC (pH 7.4): 121.45; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 34.89 Å2; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 50.12 cm3; (14)Molar Volume: 137.9 cm3; (15)Surface Tension: 57.2 dyne/cm; (16)Density: 1.248 g/cm3; (17)Flash Point: 208.7 °C; (18)Enthalpy of Vaporization: 67.25 kJ/mol; (19)Boiling Point: 418.9 °C at 760 mmHg; (20)Vapour Pressure: 3.17E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin and if swallowed. You should not breathe dust. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NC=C(N2)C=O
(2)InChI: InChI=1S/C10H8N2O/c13-7-9-6-11-10(12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
(3)InChIKey: LFKJFIOTRHYONM-UHFFFAOYSA-N