1-(4-NITROPHENYL)-1H-PYRROLE

The 1H-Pyrrole,1-(4-nitrophenyl)- is an organic compound with the formula C₁₀H₈N₂O₂. The IUPAC name of this chemical is 1-(4-nitrophenyl)pyrrole. With the CAS registry number 4533-42-0, it is also named as 1-(p-Nitrophenyl)pyrrole. The product's categories are Functional Materials; Pyrroles (for Conduting Polymer Research); Reagents for Conducting Polymer Research; pyrrole; Building Blocks; Heterocyclic Building Blocks; Pyrroles. Besides, it should be stored in a dark cool and well-ventilated place.

Physical properties about 1H-Pyrrole,1-(4-nitrophenyl)- are: (1)ACD/LogP: 2.81; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 50.75 Å²; (5)Index of Refraction: 1.613; (6)Molar Refractivity: 53.14 cm³; (7)Molar Volume: 152.6 cm³; (8)Polarizability: 21.06×10^-24cm³; (9)Surface Tension: 52.2 dyne/cm; (10)Density: 1.23 g/cm³; (11)Flash Point: 152 °C; (12)Enthalpy of Vaporization: 54.74 kJ/mol; (13)Boiling Point: 327.7 °C at 760 mmHg; (14)Vapour Pressure: 0.00038 mmHg at 25°C.

Preparation of 1H-Pyrrole,1-(4-nitrophenyl)-: this chemical can be prepared by 2,5-dimethoxy-tetrahydro-furan and 4-nitro-aniline. This reaction is a kind of Paal-Knorr reaction. This reaction will need reagent AcOH by heating.

Uses of 1H-Pyrrole,1-(4-nitrophenyl)-: it can be used to produce 4-pyrrol-1-yl-aniline. It will need reagents aqueous hydrochloric acid, iron.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)n2cccc2
(2)InChI: InChI=1/C10H8N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h1-8H
(3)InChIKey: PWCFKNYSCGRNRW-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H8N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h1-8H
(5)Std. InChIKey: PWCFKNYSCGRNRW-UHFFFAOYSA-N