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1H-Pyrrole,1-(4-iodophenyl)-

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Name

1H-Pyrrole,1-(4-iodophenyl)-

EINECS N/A
CAS No. 92636-36-7 Density 1.63 g/cm3
PSA 4.93000 LogP 3.08190
Solubility N/A Melting Point 128-133 °C
Formula C10H8IN Boiling Point 302 °C at 760 mmHg
Molecular Weight 269.085 Flash Point 136.4 °C
Transport Information N/A Appearance beige-brown powder
Safety 36/37/39-26-22 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 92636-36-7 (1-(4-IODOPHENYL)PYRROLE) Hazard Symbols IrritantXi
Synonyms

1-(4-Iodophenyl)-1H-pyrrole;1-(4-Iodophenyl)pyrrole;N-(4-Iodophenyl)pyrrole;NSC 116802;

Article Data 8

1H-Pyrrole,1-(4-iodophenyl)- Specification

The 1H-Pyrrole,1-(4-iodophenyl)-, with the CAS registry number 92636-36-7, is also known as NSC116802. This chemical's molecular formula is C10H8IN and molecular weight is 269.08169. Its IUPAC name is called 1-(4-iodophenyl)pyrrole. This chemical is beige-brown powder.

Physical properties of 1H-Pyrrole,1-(4-iodophenyl)-: (1)ACD/LogP: 4.11; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.65; (5)Molar Refractivity: 60.13 cm3; (6)Molar Volume: 164.8 cm3; (7)Surface Tension: 45.3 dyne/cm; (8)Density: 1.63 g/cm3; (9)Flash Point: 136.4 °C; (10)Enthalpy of Vaporization: 52.05 kJ/mol; (11)Boiling Point: 302 °C at 760 mmHg; (12)Vapour Pressure: 0.00182 mmHg at 25°C.

Uses of 1H-Pyrrole,1-(4-iodophenyl)-: it can be used to produce 4-pyrrol-1-yl-benzonitrile by heating. This reaction is a kind of Substitution. It will need reagent CuI and solvent acetonitrile with reaction time of 1 hour. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN(C=C1)C2=CC=C(C=C2)I
(2)InChI: InChI=1S/C10H8IN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H
(3)InChIKey: FMURNAZHVQDQQN-UHFFFAOYSA-N

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