5-NITRO-2-BENZIMIDAZOLINONE

The 5-Nitro-1,3-dihydro-2H-benzimidazol-2-one is an organic compound with the formula C₇H₅N₃O₃. The IUPAC name of this chemical is 5-nitro-1,3-dihydrobenzimidazol-2-one. With the CAS registry number 93-84-5, it is also named as 2H-benzimidazol-2-one, 1,3-dihydro-5-nitro-. The product's categories are Benzimidazole; Benzimidazoles; Building Blocks; Heterocyclic Building Blocks. Besides, it is a yellow to brown powder, which should be stored in a closed and dark place. It is mainly used for coloring synthetic puree, high-grade coatings and plastics.

Physical properties about 5-Nitro-1,3-dihydro-2H-benzimidazol-2-one are: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): 1.51; (3)ACD/LogD (pH 7.4): 1.51; (4)ACD/BCF (pH 5.5): 8.23; (5)ACD/BCF (pH 7.4): 8.22; (6)ACD/KOC (pH 5.5): 157.33; (7)ACD/KOC (pH 7.4): 157.22; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 69.37 Å²; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 42.57 cm³; (14)Molar Volume: 118.9 cm³; (15)Polarizability: 16.87×10^-24cm³; (16)Surface Tension: 60 dyne/cm; (17)Density: 1.506 g/cm³; (18)Flash Point: 76.5 °C; (19)Enthalpy of Vaporization: 43.92 kJ/mol; (20)Boiling Point: 203 °C at 760 mmHg; (21)Vapour Pressure: 0.285 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-nitro-benzene-1,2-diamine and urea. The reaction temperature is 170 - 180 °C.

Uses of 5-Nitro-1,3-dihydro-2H-benzimidazol-2-one: it can be used to produce 1,3-dimethyl-5-nitro-1,3-dihydro-benzoimidazol-2-one by heating. It will need reagent potassium hydroxide and solvent acetone with reaction time of 4 hours. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and if swallowed. When you are using it, wear suitable protective clothing and gloves and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)NC(=O)N2
(2)InChI: InChI=1/C7H5N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H,(H2,8,9,11)
(3)InChIKey: DLJZIPVEVJOKHB-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H5N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H,(H2,8,9,11)
(5)Std. InChIKey: DLJZIPVEVJOKHB-UHFFFAOYSA-N