1H-Benzimidazole,6-nitro-2-(3-pyridinyl)- supplier

Name
5-NITRO-2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE
EINECS
CAS No. 145861-59-2
Article Data6
CAS DataBase
Density 1.451 g/cm³
Solubility
Melting Point 242-244℃
Formula C₁₂H₈N₄O₂
Boiling Point 518.9 °C at 760 mmHg
Molecular Weight 240.221
Flash Point 267.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazole,5-nitro-2-(3-pyridinyl)- (9CI);5-Nitro-2-(pyridin-3-yl)-1H-benzimidazole;2-(3-Pyridyl)-5-nitro-1H-benzimidazole;
PSA 87.39000
LogP 3.05630

1H-Benzimidazole,6-nitro-2-(3-pyridinyl)- Specification

The 1H-Benzimidazole,6-nitro-2-(3-pyridinyl)-, with the CAS registry number 145861-59-2, is also known as 2-(3-Pyridyl)-5-nitro-1H-benzimidazole. This chemical's molecular formula is C₁₂H₈N₄O₂ and molecular weight is 240.22. What's more, its systematic name is 5-nitro-2-(pyridin-3-yl)-1H-benzimidazole.

Physical properties of 1H-Benzimidazole,6-nitro-2-(3-pyridinyl)- are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 4.13; (6)ACD/BCF (pH 7.4): 3.71; (7)ACD/KOC (pH 5.5): 95.54; (8)ACD/KOC (pH 7.4): 85.77; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 76.53 Å²; (13)Index of Refraction: 1.727; (14)Molar Refractivity: 65.84 cm³; (15)Molar Volume: 165.4 cm³; (16)Polarizability: 26.1×10^-24cm³; (17)Surface Tension: 75.5 dyne/cm; (18)Density: 1.451 g/cm³; (19)Flash Point: 267.6 °C; (20)Enthalpy of Vaporization: 79.16 kJ/mol; (21)Boiling Point: 518.9 °C at 760 mmHg; (22)Vapour Pressure: 7.16E-11 mmHg at 25°C.

Uses of 1H-Benzimidazole,6-nitro-2-(3-pyridinyl)-: it can be used to produce 2-pyridin-3-yl-1H-benzoimidazol-5-ylamine by heating. It will need reagents Zn, aq. CaCl₂ and solvent ethanol with the reaction time of 2 hours. It's a reaction of reduction. The yield is about 49%.

1H-Benzimidazole,6-nitro-2-(3-pyridinyl)- can be used to produce 2-pyridin-3-yl-1H-benzoimidazol-5-ylamine by heating

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3cc1c(nc(n1)c2cccnc2)cc3
(2)InChI: InChI=1S/C12H8N4O2/c17-16(18)9-3-4-10-11(6-9)15-12(14-10)8-2-1-5-13-7-8/h1-7H,(H,14,15)
(3)InChIKey: IIIXDDOCSBCSNQ-UHFFFAOYSA-N

Product Name

5-NITRO-2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE

1H-Benzimidazole,6-nitro-2-(3-pyridinyl)- Specification

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