Basic Information | Post buying leads | Suppliers |
Name |
1H-Benzimidazole, 6-chloro-5-fluoro- |
EINECS | N/A |
CAS No. | 175135-04-3 | Density | 1.533 g/cm3 |
PSA | 28.68000 | LogP | 2.35540 |
Solubility | Insoluble in both water and organic solvents. | Melting Point |
148-150°C |
Formula | C7H4ClFN2 | Boiling Point | 400.1 °C at 760 mmHg |
Molecular Weight | 170.57 | Flash Point | 195.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1H-Benzimidazole,5-chloro-6-fluoro- (9CI);6-Chloro-5-fluorobenzimidazole; |
This chemical is called 1H-Benzimidazole, 6-chloro-5-fluoro-, and its systematic name is 5-chloro-6-fluoro-1H-benzimidazole. With the molecular formula of C7H4ClFN2, its molecular weight is 170.57. The CAS registry number of this chemical is 175135-04-3. Additionally, its product categories are Imidazol & Benzimidazole.
Other characteristics of the 1H-Benzimidazole, 6-chloro-5-fluoro- can be summarised as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.77; (6)ACD/BCF (pH 7.4): 24.92; (7)ACD/KOC (pH 5.5): 345.49; (8)ACD/KOC (pH 7.4): 347.57; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 41.5 cm3; (15)Molar Volume: 111.2 cm3; (16)Polarizability: 16.45×10-24cm3; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.533 g/cm3; (19)Flash Point: 195.7 °C; (20)Enthalpy of Vaporization: 62.55 kJ/mol; (21)Boiling Point: 400.1 °C at 760 mmHg; (22)Vapour Pressure: 3.02E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc2ncnc2cc1F
2.InChI: InChI=1/C7H4ClFN2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
3.InChIKey: YITVVUARATZCAT-UHFFFAOYAE