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1H-Benzimidazole, 6-methoxy-2-methyl-

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Name

1H-Benzimidazole, 6-methoxy-2-methyl-

EINECS 604-604-1
CAS No. 4887-81-4 Density 1.198 g/cm3
PSA 37.91000 LogP 1.87990
Solubility N/A Melting Point N/A
Formula C9H10N2O Boiling Point 375.6 °C at 760 mmHg
Molecular Weight 162.191 Flash Point 136.7 °C
Transport Information N/A Appearance N/A
Safety 36-24/25 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 4887-81-4 (2-METHYL-5-METHOXYBENZIMIDAZOLE) Hazard Symbols IrritantXi,HarmfulXn
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;

Article Data 1

1H-Benzimidazole, 6-methoxy-2-methyl- Specification

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

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