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CAS No.: | 73225-15-7 |
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Name: | 2-METHYL-1-(4-NITROPHENYL)-1H-IMIDAZOLE |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C10H9N3O2 |
Molecular Weight: | 203.2 |
Synonyms: | Imidazole,2-methyl-1-(p-nitrophenyl)- (7CI);1-(4-Nitrophenyl)-2-methylimidazole;2-Methyl-1-(4-nitrophenyl)-1H-imidazole;2-Methyl-1-(4-nitrophenyl)imidazole;2-methyl-1-(4-nitrophenyl)-1H-imidazole;1H-imidazole, 2-methyl-1-(4-nitrophenyl)-;2-Methyl-1-(4-nitrophenyl)-1H-imidazole; |
Density: | 1.298 g/cm3 |
Melting Point: | 138-139 °C |
Boiling Point: | 396.522 °C at 760 mmHg |
Flash Point: | 193.61 °C |
PSA: | 63.64000 |
LogP: | 2.61210 |
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The 1H-Imidazole,2-methyl-1-(4-nitrophenyl)-, with the CAS registry number 73225-15-7, has the systematic name of 2-methyl-1-(4-nitrophenyl)-1H-imidazole. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C10H9N3O2.
The characteristics of 1H-Imidazole,2-methyl-1-(4-nitrophenyl)- are as followings: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 18; (7)ACD/KOC (pH 5.5): 144; (8)ACD/KOC (pH 7.4): 275; (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: 1.634; (14)Molar Refractivity: 56.016 cm3; (15)Molar Volume: 156.56 cm3; (16)Polarizability: 22.206×10-24cm3; (17)Surface Tension: 53.127 dyne/cm; (18)Density: 1.298 g/cm3; (19)Flash Point: 193.61 °C; (20)Enthalpy of Vaporization: 64.683 kJ/mol; (21)Boiling Point: 396.522 °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: [O-][N+](=O)c2ccc(n1ccnc1C)cc2
(2)InChI: InChI=1/C10H9N3O2/c1-8-11-6-7-12(8)9-2-4-10(5-3-9)13(14)15/h2-7H,1H3
(3)InChIKey: GSDHPOQTEXEBDN-UHFFFAOYAT