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

Name
1-(4-IODOPHENYL)PYRROLE
EINECS
CAS No. 92636-36-7
Article Data8
CAS DataBase
Density 1.63 g/cm³
Solubility
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
Appearance beige-brown powder
Safety 36/37/39-26-22
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(4-Iodophenyl)-1H-pyrrole;1-(4-Iodophenyl)pyrrole;N-(4-Iodophenyl)pyrrole;NSC 116802;
PSA 4.93000
LogP 3.08190

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

Product Name

1-(4-IODOPHENYL)PYRROLE

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

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