1H-Benzimidazole,2-chloro-5-fluoro-1-methyl- supplier

Name
1H-Benzimidazole,2-chloro-5-fluoro-1-methyl-(9CI)
EINECS
CAS No. 401567-12-2
Article Data4
CAS DataBase
Density 1.408 g/cm³
Solubility
Melting Point
Formula C₈H₆ClFN₂
Boiling Point 307.997 °C at 760 mmHg
Molecular Weight 184.6
Flash Point 140.072 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-5-fluoro-1-methyl-1H-benzimidazole;
PSA 17.82000
LogP 2.36580

1H-Benzimidazole,2-chloro-5-fluoro-1-methyl- Specification

The 1H-Benzimidazole,2-chloro-5-fluoro-1-methyl- has the CAS registry number 401567-12-2. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C₈H₆ClFN₂ and molecular weight is 184.60. What's more, its systematic name is 2-chloro-5-fluoro-1-methyl-1H-benzimidazole.

Physical properties of 1H-Benzimidazole,2-chloro-5-fluoro-1-methyl- are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 73; (6)ACD/BCF (pH 7.4): 73; (7)ACD/KOC (pH 5.5): 749; (8)ACD/KOC (pH 7.4): 751; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 45.608 cm³; (15)Molar Volume: 131.093 cm³; (16)Polarizability: 18.08×10^-24cm³; (17)Surface Tension: 39.681 dyne/cm; (18)Density: 1.408 g/cm³; (19)Flash Point: 140.072 °C; (20)Enthalpy of Vaporization: 54.864 kJ/mol; (21)Boiling Point: 307.997 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2c(c1)nc(Cl)n2C
(2)InChI: InChI=1S/C8H6ClFN2/c1-12-7-3-2-5(10)4-6(7)11-8(12)9/h2-4H,1H3
(3)InChIKey: ZOHVWGDSBHMZLO-UHFFFAOYSA-N

Product Name

1H-Benzimidazole,2-chloro-5-fluoro-1-methyl-(9CI)

1H-Benzimidazole,2-chloro-5-fluoro-1-methyl- Specification

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