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| CAS No.: | 30086-17-0 |
|---|---|
| Name: | 4-FLUORO-1H-IMIDAZOLE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C3H3FN2 |
| Molecular Weight: | 86.0686 |
| Synonyms: | 1H-Imidazole,4-fluoro- (9CI);Imidazole, 4-fluoro- (8CI);4-Fluoroimidazole;NSC 208718; |
| Density: | 1.32 g/cm3 |
| Melting Point: | 101-104 °C |
| Boiling Point: | 261 °C at 760 mmHg |
| Flash Point: | 111.7 °C |
| PSA: | 28.68000 |
| LogP: | 0.54880 |
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Specification
The 1H-Imidazole, 5-fluoro-, with the CAS registry number 30086-17-0, is also known as 5-Fluoroimidazole. It belongs to the product categories of Heterocyclic Compounds; Heterocycles; Fluorinated Heterocyclic Series. This chemical's molecular formula is C3H3FN2 and molecular weight is 86.067723. Its IUPAC name is called 5-fluoro-1H-imidazole.
Physical properties of 1H-Imidazole, 5-fluoro-: (1)ACD/LogP: -0.11; (2)ACD/LogD (pH 5.5): -0.3; (3)ACD/LogD (pH 7.4): -0.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.28; (7)ACD/KOC (pH 7.4): 20.64; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.487; (11)Molar Refractivity: 18.77 cm3; (12)Molar Volume: 65.1 cm3; (13)Surface Tension: 44.2 dyne/cm; (14)Density: 1.32 g/cm3; (15)Flash Point: 111.7 °C; (16)Enthalpy of Vaporization: 47.86 kJ/mol; (17)Boiling Point: 261 °C at 760 mmHg; (18)Vapour Pressure: 0.0192 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(NC=N1)F
(2)InChI: InChI=1S/C3H3FN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
(3)InChIKey: HWUPTWDARIVICI-UHFFFAOYSA-N