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Name |
1H-Benzimidazole,1-(fluoromethyl)-2-methyl- |
EINECS | N/A |
CAS No. | 120720-70-9 | Density | 1.19 g/cm3 |
PSA | 17.82000 | LogP | 2.27170 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9FN2 | Boiling Point | 299.2 °C at 760 mmHg |
Molecular Weight | 164.18 | Flash Point | 134.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(Fluoromethyl)-2-methyl-1H-benzimidazole;1-(Fluoromethyl)-2-methyl-1H-benzo[d]imidazole; |
The 1H-Benzimidazole,1-(fluoromethyl)-2-methyl-, with the CAS registry number 120720-70-9, is also known as 1-(Fluoromethyl)-2-methyl-1H-benzo[d]imidazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C9H9FN2 and molecular weight is 164.18. What's more, its systematic name is 1-(fluoromethyl)-2-methyl-1H-benzimidazole.
Physical properties of 1H-Benzimidazole,1-(fluoromethyl)-2-methyl- are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 10.37; (6)ACD/BCF (pH 7.4): 20.91; (7)ACD/KOC (pH 5.5): 151.54; (8)ACD/KOC (pH 7.4): 305.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 45.61 cm3; (15)Molar Volume: 137.8 cm3; (16)Polarizability: 18.08×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 134.7 °C; (20)Enthalpy of Vaporization: 51.76 kJ/mol; (21)Boiling Point: 299.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00215 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FCn1c2ccccc2nc1C
(2)InChI: InChI=1S/C9H9FN2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10/h2-5H,6H2,1H3
(3)InChIKey: JIOLYHJCHOXTCC-UHFFFAOYSA-N