2-CHLORO-5-METHOXYBENZIMIDAZOLE

The 2-Chloro-5-methoxybenzimidazole with the CAS number 15965-54-5 is also called 1H-Benzimidazole,2-chloro-6-methoxy-. Its molecular formula is C₈H₇ClN₂O. The product category is Benzimidazole. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2-Chloro-5-methoxybenzimidazole are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 45.28; (6)ACD/BCF (pH 7.4): 46.21; (7)ACD/KOC (pH 5.5): 528.98; (8)ACD/KOC (pH 7.4): 539.81; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.05 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 48.19 cm³; (15)Molar Volume: 131 cm³; (16)Polarizability: 19.1×10^-24cm³; (17)Surface Tension: 55.3 dyne/cm; (18)Enthalpy of Vaporization: 61.21 kJ/mol; (19)Vapour Pressure: 1.54×10^-5 mmHg at 25°C.

Uses: This chemical can react with 4-(piperidin-4-ylamino)-benzoic acid tert-butyl ester to prepare 4-[1-(5-methoxy-1H-benzoimidazol-2-yl)-piperidin-4-ylamino]-benzoic acid tert-butyl ester. This reaction needs solvent pentan-1-ol at temperature of 25 °C. The reaction time is 12 hours. The yield is 83%. The reaction type is substitution.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. It is toxic by inhalation, in contact with skin and if swallowed. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then you should avoid this chemical contact with skin and eyes. Finally in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc1ccc(OC)cc1n2
(2)InChI: InChI=1/C8H7ClN2O/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11)
(3)InChIKey: FMDGYQOERIOABX-UHFFFAOYAC