CAS No.78581-99-4,1H-Benzimidazole,5,6-difluoro-(9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78581-99-4
Name:	1H-Benzimidazole,5,6-difluoro-(9CI)
Article Data:	12

Formula:	C₇H₄F₂N₂
Molecular Weight:	154.119
Synonyms:	5,6-Difluoro-1H-benzimidazole;5,6-Difluorobenzimidazole;NSC 402990;
Density:	1.488 g/cm³
Boiling Point:	369.5 °C at 760 mmHg
Flash Point:	177.3 °C
PSA:	28.68000
LogP:	1.84110

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Specification

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