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Name |
1H-Benzimidazole,5,6-difluoro- |
EINECS | N/A |
CAS No. | 78581-99-4 | Density | 1.488 g/cm3 |
PSA | 28.68000 | LogP | 1.84110 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4F2N2 | Boiling Point | 369.5 °C at 760 mmHg |
Molecular Weight | 154.119 | Flash Point | 177.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5,6-Difluoro-1H-benzimidazole;5,6-Difluorobenzimidazole;NSC 402990; |
Article Data | 12 |
The 1H-Benzimidazole,5,6-difluoro-, with the CAS registry number 78581-99-4, is also known as 5,6-Difluorobenzimidazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C7H4F2N2 and molecular weight is 154.12. What's more, its systematic name is 5,6-difluoro-1H-benzimidazole.
Physical properties of 1H-Benzimidazole,5,6-difluoro- are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.33; (6)ACD/BCF (pH 7.4): 11.41; (7)ACD/KOC (pH 5.5): 197.3; (8)ACD/KOC (pH 7.4): 198.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 36.6 cm3; (15)Molar Volume: 103.5 cm3; (16)Polarizability: 14.51×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.488 g/cm3; (19)Flash Point: 177.3 °C; (20)Enthalpy of Vaporization: 59.21 kJ/mol; (21)Boiling Point: 369.5 °C at 760 mmHg; (22)Vapour Pressure: 2.51E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C2C(=CC(=C1F)F)N=CN2
(2)InChI: InChI=1S/C7H4F2N2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
(3)InChIKey: IAYQNPPZFVAZLY-UHFFFAOYSA-N