1H-Imidazole,4,5-dihydro-2-(3-nitrophenyl)- supplier

Name
4,5-dihydro-2-(3-nitrophenyl)-1H-imidazole
EINECS 250-754-1
CAS No. 31659-42-4
Article Data17
CAS DataBase
Density 1.41 g/cm³
Solubility
Melting Point 156-157 °C
Formula C₉H₉N₃O₂
Boiling Point 334.7 °C at 760 mmHg
Molecular Weight 191.189
Flash Point 156.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(3-Nitrophenyl)-4,5-dihydro-1H-imidazole;
PSA 70.21000
LogP 1.23220

1H-Imidazole,4,5-dihydro-2-(3-nitrophenyl)- Specification

The 1H-Imidazole,4,5-dihydro-2-(3-nitrophenyl)-, with the CAS registry number 31659-42-4, is also known as 4,5-Dihydro-2-(3-nitrophenyl)-1H-imidazole. It belongs to the product categories of Heterocyclic Compounds; Imidaxoles. Its EINECS registry number is 250-754-1. This chemical's molecular formula is C₉H₉N₃O₂ and molecular weight is 191.18666. What's more, its systematic name is called 2-(3-Nitrophenyl)-4,5-dihydro-1H-imidazole.

Physical properties about 1H-Imidazole,4,5-dihydro-2-(3-nitrophenyl)- are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 61.42 Å²; (7)Index of Refraction: 1.673; (8)Molar Refractivity: 50.69 cm³; (9)Molar Volume: 135.2 cm³; (10)Surface Tension: 60.5 dyne/cm; (11)Density: 1.41 g/cm³; (12)Flash Point: 156.2 °C; (13)Enthalpy of Vaporization: 57.76 kJ/mol; (14)Boiling Point: 334.7 °C at 760 mmHg; (15)Vapour Pressure: 0.000126 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cccc(c1)/C2=N/CCN2
(2) InChI: InChI=1/C9H9N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-3,6H,4-5H2,(H,10,11)
(3) InChIKey: YSCJJOXSVFNSPY-UHFFFAOYAA

Product Name

4,5-dihydro-2-(3-nitrophenyl)-1H-imidazole

1H-Imidazole,4,5-dihydro-2-(3-nitrophenyl)- Specification

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