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CAS No.: | 4887-95-0 |
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Name: | 2,5-DICHLOROBENZIMIDAZOLE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C7H4Cl2N2 |
Molecular Weight: | 187.028 |
Synonyms: | 1H-Benzimidazole,2,5-dichloro- (9CI);Benzimidazole, 2,5(or 2,6)-dichloro- (7CI);Benzimidazole,2,5-dichloro- (8CI);2,5-Dichloro-1H-benzimidazole; |
Density: | 1.571 g/cm3 |
Melting Point: | 207-208 °C (decomp) |
Boiling Point: | 364.5 °C at 760 mmHg |
Flash Point: | 205.7 °C |
PSA: | 28.68000 |
LogP: | 2.86970 |
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The CAS register number of 1H-Benzimidazole,2,6-dichloro- is 4887-95-0. It also can be called as Benzimidazole,2,5-dichloro- (8CI) and the IUPAC name about this chemical is 2,6-dichloro-1H-benzimidazole. The molecular formula about this chemical is C7H4Cl2N2 and the molecular weight is 187.03. It belongs to the following product category which includes Benzimidazole.
Physical properties about 1H-Benzimidazole,2,6-dichloro- are: (1)ACD/LogP: 3.37; (2)ACD/LogD (pH 5.5): 3.37; (3)ACD/LogD (pH 7.4): 3.21; (4)ACD/BCF (pH 5.5): 213.48; (5)ACD/BCF (pH 7.4): 147.96; (6)ACD/KOC (pH 5.5): 1613.9; (7)ACD/KOC (pH 7.4): 1118.58; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 17.82 Å2; (11)Index of Refraction: 1.708; (12)Molar Refractivity: 46.4 cm3; (13)Molar Volume: 118.9 cm3; (14)Polarizability: 18.39x10-24cm3; (15)Surface Tension: 64 dyne/cm; (16)Density: 1.571 g/cm3; (17)Flash Point: 205.7 °C; (18)Enthalpy of Vaporization: 61.07 kJ/mol; (19)Boiling Point: 364.5 °C at 760 mmHg; (20)Vapour Pressure: 1.68E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1c(nc(Cl)n1)cc2
(2)InChI: InChI=1/C7H4Cl2N2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)
(3)InChIKey: LLIARSREYVCQHL-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H4Cl2N2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)
(5)Std. InChIKey: LLIARSREYVCQHL-UHFFFAOYSA-N