Products Categories
CAS No.: | 51581-54-5 |
---|---|
Name: | 1-(4-CHLOROPHENYL)IMIDAZOLE |
Article Data: | 89 |
Molecular Structure: | |
Formula: | C9H7ClN2 |
Molecular Weight: | 178.621 |
Synonyms: | 1-(4-Chlorophenyl)-1H-imidazole;1-(4-Chlorophenyl)imidazole;1-(p-Chlorophenyl)imidazole; |
Density: | 1.23 g/cm3 |
Melting Point: | 85-87 °C |
Boiling Point: | 305 °C at 760 mmHg |
Flash Point: | 138.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 17.82000 |
LogP: | 2.52570 |
What can I do for you?
Get Best Price
The 1H-Imidazole,1-(4-chlorophenyl)-, with the CAS registry number 51581-54-5, is also known as 1-(4-Chlorophenyl)-1H-imidazole. This chemical's molecular formula is C9H7ClN2 and molecular weight is 178.62. What's more, its IUPAC name is 1-(4-chlorophenyl)imidazole.
Physical properties of 1H-Imidazole,1-(4-chlorophenyl)- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 27.18; (6)ACD/BCF (pH 7.4): 52.7; (7)ACD/KOC (pH 5.5): 305.53; (8)ACD/KOC (pH 7.4): 592.37; (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: 1.613; (14)Molar Refractivity: 50.53 cm3; (15)Molar Volume: 145.1 cm3; (16)Polarizability: 20.03×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 138.2 °C; (20)Enthalpy of Vaporization: 52.36 kJ/mol; (21)Boiling Point: 305 °C at 760 mmHg; (22)Vapour Pressure: 0.00152 mmHg at 25°C.
Preparation of 1H-Imidazole,1-(4-chlorophenyl)-: this chemical can be prepared by 1H-imidazole and 4,4'-dichlorodiphenyliodonium tetrafluoroborate at the temperature of 80 °C. This reaction will need reagents K2CO3, Bu4(1+)·I(1-), cobalt(II) acetate and solvent dimethylformamide with the reaction time of 6 hours. It's a reaction of arylation. The yield is about 75%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1N2C=CN=C2)Cl
(2)InChI: InChI=1S/C9H7ClN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
(3)InChIKey: BARLRKAYTDVUIS-UHFFFAOYSA-N