1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrole

Basic Information

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CAS Number

288608-09-3

Molecular Formula

C12H12IN

Molecular Weight

297.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

82-84°

SMILES

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CC1=CC=C(N1C2=CC=C(C=C2)I)C

InChI

InChI=1S/C12H12IN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3

InChIKey

CLGKGHWNVMDYQB-UHFFFAOYSA-N

LogP

3.6987400000000026

Topological Polar Surface Area

4.93 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

177

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-(4-Iodophenyl)-2,5-dimethyl-1H-pyrrole
1-(2,5-dimethyl-1H-pyrrol-1-yl)-4-iodobenzene
4-(2,5-dimethyl-1H-pyrrol-1-yl)iodobenzene
AC1M4U1P
ANW-55296
CTK0J1759
N-4-iodophenyl-2,5-dimethylpyrrole
SureCN5579948
1H-Pyrrole, 1-(4-iodophenyl)-2,5-dimethyl-
Z55669243
1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrole
A904765
MFCD02692647
AB-0818
SB62332
SCHEMBL5579948
288608-09-3
1-(4-iodophenyl)-2,5-dimethylpyrrole
SY104232
SR-01000025857
J-503328
OSM-A-11
AKOS000285582
CS-W004433
SR-01000025857-1
DTXSID80368034
O10294

MDL Number

MFCD02692647

FAQ

What are the physical and chemical properties of 1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrole (CAS: 288608-09-3)?

1-(4-Iodophenyl)-2,5-dimethyl-1H-pyrrole is a crystalline solid with a molecular weight of approximately 296.01 g/mol. It has a low solubility in water but is more soluble in organic solvents such as dichloromethane and tetrahydrofuran. This compound is known for its stability under normal conditions but can react with strong oxidizing agents. It shows minimal reactivity towards common bases and acids.

How is 1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrole (CAS: 288608-09-3) typically synthesized?

1-(4-Iodophenyl)-2,5-dimethyl-1H-pyrrole can be synthesized by first preparing 4-iodophenyl isocyanide, which is then reacted with 1,3-dimethyl-2-pyrrole. This reaction is typically carried out in the presence of a base such as triethylamine or pyridine to enhance the reaction yield. The process requires careful handling of iodine compounds to prevent hazardous reactions.

What industries use 1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrole (CAS: 288608-09-3)?

1-(4-Iodophenyl)-2,5-dimethyl-1H-pyrrole is primarily used in the pharmaceutical and chemical industries due to its unique chemical structure. It can be applied in the synthesis of various organic compounds, drug intermediates, and as a building block for developing new materials. Additionally, it has potential applications in the polymer and semiconductor industries for specialized applications.

What precautions should be taken when handling 1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrole (CAS: 288608-09-3)?

When handling 1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrole, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, well-ventilated area away from heat sources and oxidizing agents. Spills should be cleaned up carefully using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed information and emergency procedures.