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| CAS No.: | 118469-15-1 |
|---|---|
| Name: | 5-FLUORO-2-METHYLBENZIMIDAZOLE |
| Article Data: | 19 |
| Molecular Structure: | |
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|
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| Formula: | C8H7FN2 |
| Molecular Weight: | 150.155 |
| Synonyms: | 1H-Benzimidazole, 5-fluoro-2-methyl- (9CI);6-Fluoro-2-methyl-1H-benzimidazole; |
| Density: | 1.299 g/cm3 |
| Melting Point: | 177-179 °C |
| Boiling Point: | 343.642 °C at 760 mmHg |
| Flash Point: | 161.629 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 28.68000 |
| LogP: | 2.01040 |
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- Total:35 Page 1 of 1 1
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Specification
The 2-Methyl-5-fluorobenzimidazole, with the CAS registry number 325780-94-7, is also known as 1H-Benzimidazole,6-fluoro-2-methyl-. This chemical's molecular formula is C8H7FN2 and molecular weight is 150.15. What's more, its systematic name is 6-Fluoro-2-methyl-1H-benzimidazole.
Physical properties of 2-Methyl-5-fluorobenzimidazole are: (1)ACD/LogP: 2.452; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 15.63; (6)ACD/BCF (pH 7.4): 42.05; (7)ACD/KOC (pH 5.5): 186.76; (8)ACD/KOC (pH 7.4): 502.54; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 41.439 cm3; (15)Molar Volume: 115.58 cm3; (16)Polarizability: 16.428×10-24cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 161.629 °C; (20)Enthalpy of Vaporization: 56.428 kJ/mol; (21)Boiling Point: 343.642 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cc1c(nc(n1)C)cc2
(2)Std. InChI: InChI=1S/C8H7FN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
(3)Std. InChIKey: IWDUKSHNFODGKM-UHFFFAOYSA-N