1H-Imidazole,5-(3-nitrophenyl)- supplier

Name
5-(3-Nitro-phenyl)-1H-imidazole
EINECS
CAS No. 40511-41-9
Article Data9
CAS DataBase
Density 1.369 g/cm³
Solubility
Melting Point
Formula C₉H₇N₃O₂
Boiling Point 471.2 °C at 760 mmHg
Molecular Weight 189.173
Flash Point 238.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole,4-(3-nitrophenyl)- (9CI);4-(3-Nitrophenyl)imidazole;
PSA 74.50000
LogP 2.50810

1H-Imidazole,5-(3-nitrophenyl)- Specification

The 1H-Imidazole,5-(3-nitrophenyl)- is an organic compound with the formula C₉H₇N₃O₂. The systematic name of this chemical is 5-(4-nitrophenyl)-1H-imidazole. With the CAS registry number 40511-41-9, it is also named as 4-(4-nitrophenyl)-1H-imidazole.

Physical properties about 1H-Imidazole,5-(3-nitrophenyl)- are: (1)ACD/LogP: 1.08; (2)ACD/LogD (pH 5.5): 0.78; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 1.94; (5)ACD/BCF (pH 7.4): 3.82; (6)ACD/KOC (pH 5.5): 46.03; (7)ACD/KOC (pH 7.4): 90.57; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.64 Å²; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 49.91 cm³; (14)Molar Volume: 138.1 cm³; (15)Polarizability: 19.78×10^-24cm³; (16)Surface Tension: 63.5 dyne/cm; (17)Density: 1.369 g/cm³; (18)Flash Point: 238.8 °C; (19)Enthalpy of Vaporization: 70.59 kJ/mol; (20)Boiling Point: 471.2 °C at 760 mmHg; (21)Vapour Pressure: 1.34E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(c1cncn1)cc2
(2)InChI: InChI=1/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-10-6-11-9/h1-6H,(H,10,11)
(3)InChIKey: FNLBIRUBMLUNQC-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-10-6-11-9/h1-6H,(H,10,11)
(5)Std. InChIKey: FNLBIRUBMLUNQC-UHFFFAOYSA-N

Product Name

5-(3-Nitro-phenyl)-1H-imidazole

1H-Imidazole,5-(3-nitrophenyl)- Specification

Related Products

Hot Products