5,6-DIMETHYL-2-BENZIMIDAZOLINONE

The CAS register number of 2H-Benzimidazol-2-one,1,3-dihydro-5,6-dimethyl- is 2033-30-9. It also can be called as 5,6-Dimethyl-2-benzimidazolinone and the IUPAC name about this chemical is 5,6-dimethyl-1,3-dihydrobenzimidazol-2-one. The molecular formula about this chemical is C₉H₁₀N₂O and the molecular weight is 162.19. It belongs to the following product category which includes Benzimidazole.

Physical properties about 2H-Benzimidazol-2-one,1,3-dihydro-5,6-dimethyl- are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 20.92; (5)ACD/BCF (pH 7.4): 20.92; (6)ACD/KOC (pH 5.5): 306.79; (7)ACD/KOC (pH 7.4): 306.78; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 23.55 Å²; (11)Index of Refraction: 1.567; (12)Molar Refractivity: 45.68 cm³; (13)Molar Volume: 139.6 cm³; (14)Polarizability: 18.1x10^-24cm³; (15)Surface Tension: 39.7 dyne/cm; (16)Density: 1.161 g/cm³; (17)Flash Point: 60.7 °C; (18)Enthalpy of Vaporization: 41.03 kJ/mol; (19)Boiling Point: 174 °C at 760 mmHg; (20)Vapour Pressure: 1.23 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4,5-dimethyl-benzene-1,2-diamine and urea. The reaction temperature is 140 °C.

Uses of 2H-Benzimidazol-2-one,1,3-dihydro-5,6-dimethyl-: it can be used to produce 2-chloro-5,6-dimethyl-1H-benzoimidazole. This reaction will need reagents of 2-chloro-5,6-dimethyl-1H-benzoimidazole. The reaction time is 3 hours with reaction temperature of 150 °C. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is slightly hazardous to water. It is not permitted undiluted product or large quantities to reach ground water, water course or sewage system. If no official permission, do not put materials into the permission surroundings. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. Please ensure that the workshop is well ventilated or equipped with exhaust device. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Nc1cc(c(cc1N2)C)C
(2)InChI: InChI=1/C9H10N2O/c1-5-3-7-8(4-6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12)
(3)InChIKey: ORWJLFLEIZBRBR-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H10N2O/c1-5-3-7-8(4-6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12)
(5)Std. InChIKey: ORWJLFLEIZBRBR-UHFFFAOYSA-N