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CAS No.: | 4887-81-4 |
---|---|
Name: | 2-METHYL-5-METHOXYBENZIMIDAZOLE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H10N2O |
Molecular Weight: | 162.191 |
Synonyms: | 1H-Benzimidazole,5-methoxy-2-methyl- (9CI);Benzimidazole, 5(or 6)-methoxy-2-methyl- (7CI);Benzimidazole, 5-methoxy-2-methyl- (8CI);2-Methyl-5-methoxy-1H-benzimidazole;2-Methyl-5-methoxybenzimidazole;5-Methoxy-2-methylbenzimidazole; |
EINECS: | 604-604-1 |
Density: | 1.198 g/cm3 |
Boiling Point: | 375.6 °C at 760 mmHg |
Flash Point: | 136.7 °C |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 20/21/22 |
Safety: | 36-24/25 |
PSA: | 37.91000 |
LogP: | 1.87990 |
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This chemical is called 1H-Benzimidazole, 6-methoxy-2-methyl-, and its systematic name is 6-methoxy-2-methyl-1H-benzimidazole. With the molecular formula of C9H10N2O, its molecular weight is 162.19. The CAS registry number of this chemical is 4887-81-4. Additionally, its product categories are Imidazol & Benzimidazole.
Other characteristics of the 1H-Benzimidazole, 6-methoxy-2-methyl- can be summarised as followings: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 3.39; (6)ACD/BCF (pH 7.4): 18.08; (7)ACD/KOC (pH 5.5): 50.93; (8)ACD/KOC (pH 7.4): 271.91; (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: 1.629; (14)Molar Refractivity: 48.12 cm3; (15)Molar Volume: 135.3 cm3; (16)Polarizability: 19.07×10-24cm3; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.198 g/cm3; (19)Flash Point: 136.7 °C; (20)Enthalpy of Vaporization: 59.87 kJ/mol; (21)Boiling Point: 375.6 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. Avoid contacting with skin and eyes. Wear suitable protective clothing.
You can still convert the following datas into molecular structure:
1.SMILES: O(c2cc1c(nc(n1)C)cc2)C
2.InChI: InChI=1/C9H10N2O/c1-6-10-8-4-3-7(12-2)5-9(8)11-6/h3-5H,1-2H3,(H,10,11)
3.InChIKey: KNQUHMCADKEUNP-UHFFFAOYAW