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CAS No.: | 25373-58-4 |
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Name: | 1-(4-CHLORO-2-NITRO-PHENYL)-1H-IMIDAZOLE |
Molecular Structure: | |
Formula: | C9H6ClN3O2 |
Molecular Weight: | 223.619 |
Synonyms: | Imidazole,1-(4-chloro-2-nitrophenyl)- (8CI);1-(2-Nitro-4-chlorophenyl)imidazole;1-(4-Chloro-2-nitrophenyl)imidazole; |
Density: | 1.48 g/cm3 |
Boiling Point: | 384.6 °C at 760 mmHg |
Flash Point: | 186.4 °C |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 63.64000 |
LogP: | 2.95710 |
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The 1H-Imidazole,1-(4-chloro-2-nitrophenyl)-, with the CAS registry number 25373-58-4, is also known as 1-(2-Nitro-4-chlorophenyl)imidazole. This chemical's molecular formula is C9H6ClN3O2 and molecular weight is 223.62. What's more, its systematic name is 1-(4-chloro-2-nitrophenyl)-1H-imidazole.
Physical properties of 1H-Imidazole,1-(4-chloro-2-nitrophenyl)- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 36.23; (6)ACD/BCF (pH 7.4): 39.19; (7)ACD/KOC (pH 5.5): 444.38; (8)ACD/KOC (pH 7.4): 480.68; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.64 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 56.19 cm3; (15)Molar Volume: 150.6 cm3; (16)Polarizability: 22.27×10-24cm3; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.48 g/cm3; (19)Flash Point: 186.4 °C; (20)Enthalpy of Vaporization: 60.86 kJ/mol; (21)Boiling Point: 384.6 °C at 760 mmHg; (22)Vapour Pressure: 8.92E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(Cl)ccc1n2ccnc2
(2)InChI: InChI=1S/C9H6ClN3O2/c10-7-1-2-8(9(5-7)13(14)15)12-4-3-11-6-12/h1-6H
(3)InChIKey: QNLKISPTZOYPAN-UHFFFAOYSA-N