Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(4-Bromo-phenyl)-1h-imidazole |
EINECS | 200-002-4 |
CAS No. | 176961-53-8 | Density | 1.566 g/cm3 |
PSA | 28.68000 | LogP | 2.83920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7BrN2 | Boiling Point | 383.41 °C at 760 mmHg |
Molecular Weight | 223.072 | Flash Point | 185.68 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(4-Bromophenyl)-1H-imidazole;2-(4-bromophenyl)-1H-imidazole;1H-imidazole, 2-(4-bromophenyl)-; |
Article Data | 16 |
The 1H-Imidazole,2-(4-bromophenyl)-, with the CAS registry number 176961-53-8, has the systematic name and IUPAC name of 2-(4-bromophenyl)-1H-imidazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H7BrN2.
The characteristics of 1H-Imidazole,2-(4-bromophenyl)- are as followings: (1)D/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 65; (7)ACD/KOC (pH 5.5): 40; (8)ACD/KOC (pH 7.4): 646; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 51.059 cm3; (15)Molar Volume: 142.449 cm3; (16)Polarizability: 20.242×10-24cm3; (17)Surface Tension: 53.292 dyne/cm; (18)Density: 1.566 g/cm3; (19)Flash Point: 185.68 °C; (20)Enthalpy of Vaporization: 60.721 kJ/mol; (21)Boiling Point: 383.41 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2ccc(c1nccn1)cc2
(2)InChI: InChI=1/C9H7BrN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,(H,11,12)
(3)InChIKey: IRIGPPDONXVEHU-UHFFFAOYAN