4-Iodo-1-tritylimidazole

Basic Information

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CAS Number

96797-15-8

Molecular Formula

C22H17IN2

Molecular Weight

436.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

221.0 to 225.0 deg-C

Boiling Point

509.7°C at 760 mmHg

Flash Point

262℃

SMILES

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C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)I

InChI

InChI=1S/C22H17IN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H

InChIKey

DXJZJYPLPZEYBH-UHFFFAOYSA-N

LogP

5.327900000000004

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

363

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

4-Iodo-1-tritylimidazole
4-Iodo-1-trityl-1H-imidazole
4-Iodo-1-(triphenylmethyl)imidazole
N-trityl-4(5)-iodoimidazole
1-trityl-4-iodoimidazole
4-iodo-1-triphenylmethyl-1H-imidazole
4-Iodo-1-trityl-imidazole
n1-trityl-4-iodoimidazole
N-trityl-4-iodo-imidazole
4-iodo-1-(triphenylmethyl)-1H-imidazole
DXJZJYPLPZEYBH-UHFFFAOYSA-N
1H-IMIDAZOLE, 4-IODO-1-(TRIPHENYLMETHYL)-
PubChem8995
4-iodo-l-tritylimidazole
4-iodo-l-trityl-1H-imidazole
1-Trityl-4-io
4-Iodo-1-(triphenylmethyl)-1H-imidazole (ACI)
1-(Triphenylmethyl)-4-iodoimidazole
1-Trityl-4-iodoimidazole
4-iodo-1-triphenylmethylimidazole
4-Iodo-1-trityl-1H-imidazole #
1-(triphenylmethyl)-4-iodoimidazole
CS-W008877
AC-3338
SCHEMBL314095
J-515545
Imidazole, 4-iodo-1-triphenylmethyl-
DB-001728
4-iodo-1-(triphenylmethyl)imidazole
AS-18627
(4-Iodo-1H-imidazol-1-yl)triphenylmethane

MDL Number

MFCD02179542

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 4-Iodo-1-tritylimidazole (CAS: 96797-15-8)?

4-Iodo-1-tritylimidazole (CAS: 96797-15-8) is a crystalline solid with a molecular weight of approximately 455.27 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. This compound shows reactivity towards nucleophiles and electrophiles, making it useful in organic synthesis. It typically forms a yellow solid at room temperature.

How is 4-Iodo-1-tritylimidazole (CAS: 96797-15-8) typically synthesized?

4-Iodo-1-tritylimidazole (CAS: 96797-15-8) is typically synthesized through the electrophilic aromatic iodination of tritylimidazole using iodine. The reaction requires a Lewis acid catalyst such as aluminum chloride to facilitate the electrophilic substitution. The yield is generally good, with high selectivity towards the iodination product.

What industries use 4-Iodo-1-tritylimidazole (CAS: 96797-15-8)?

4-Iodo-1-tritylimidazole (CAS: 96797-15-8) is used in the pharmaceutical industry for the synthesis of various drug precursors. It is also relevant in polymer chemistry for the development of functional polymers with specific properties. Additionally, it can be utilized in the fabrication of sensors and as a reagent in semiconductor manufacturing processes.

What precautions should be taken when handling 4-Iodo-1-tritylimidazole (CAS: 96797-15-8)?

When handling 4-Iodo-1-tritylimidazole (CAS: 96797-15-8), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents. Safety data sheets (SDS) should be consulted for detailed emergency response procedures and proper disposal methods.