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| CAS No.: | 92636-36-7 |
|---|---|
| Name: | 1-(4-IODOPHENYL)PYRROLE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C10H8IN |
| Molecular Weight: | 269.085 |
| Synonyms: | 1-(4-Iodophenyl)-1H-pyrrole;1-(4-Iodophenyl)pyrrole;N-(4-Iodophenyl)pyrrole;NSC 116802; |
| Density: | 1.63 g/cm3 |
| Melting Point: | 128-133 °C |
| Boiling Point: | 302 °C at 760 mmHg |
| Flash Point: | 136.4 °C |
| Appearance: | beige-brown powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 36/37/39-26-22 |
| PSA: | 4.93000 |
| LogP: | 3.08190 |
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- Total:16 Page 1 of 1 1
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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%.
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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