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Name |
1H-Benzimidazole,1-(difluoromethyl)-2-methyl- |
EINECS | N/A |
CAS No. | 84941-16-2 | Density | 1.29 g/cm3 |
PSA | 17.82000 | LogP | 2.73980 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H8F2N2 | Boiling Point | 269.1 °C at 760 mmHg |
Molecular Weight | 182.17 | Flash Point | 116.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(Difluoromethyl)-2-methyl-1H-benzimidazole;1-(Difluoromethyl)-2-methylbenzimidazole; |
Article Data | 8 |
The 1H-Benzimidazole,1-(difluoromethyl)-2-methyl-, with the CAS registry number 84941-16-2, is also known as 1-(Difluoromethyl)-2-methyl-1H-benzimidazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C9H8F2N2 and molecular weight is 182.17. What's more, its IUPAC name is 1-(difluoromethyl)-2-methylbenzimidazole.
Physical properties of 1H-Benzimidazole,1-(difluoromethyl)-2-methyl- are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.49; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.82 Å2; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 45.48 cm3; (11)Molar Volume: 140.8 cm3; (12)Polarizability: 18.03×10-24cm3; (13)Surface Tension: 33.5 dyne/cm; (14)Density: 1.29 g/cm3; (15)Flash Point: 116.5 °C; (16)Enthalpy of Vaporization: 48.68 kJ/mol; (17)Boiling Point: 269.1 °C at 760 mmHg; (18)Vapour Pressure: 0.0123 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC2=CC=CC=C2N1C(F)F
(2)InChI: InChI=1S/C9H8F2N2/c1-6-12-7-4-2-3-5-8(7)13(6)9(10)11/h2-5,9H,1H3
(3)InChIKey: AJRUWLNEYCWDTC-UHFFFAOYSA-N