2-Iodo-1,3-dimethyl-5-(2-methyl-2-propanyl)benzene

Basic Information

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CAS Number

5122-20-3

Molecular Formula

C12H17I

Molecular Weight

288.17 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

54-57°C

SMILES

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CC1=CC(=CC(=C1I)C)C(C)(C)C

InChI

InChI=1S/C12H17I/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,1-5H3

InChIKey

SCKWYPTZVFBKKW-UHFFFAOYSA-N

LogP

4.205540000000004

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

157

Safety Information

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Sensitiveness

Light Sensitive

Synonyms & References

English

DTXSID30372348
IDI1_032802
4-tert-Butyl-2,6-dimethyliodobenzene
AKOS025116814
5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene 5122-20-3
CS-0207365
SCHEMBL1517227
HMS1532E20
5122-20-3
5-tert-butyl-2-iodo-1,3-dimethylbenzene
AS-65247
Maybridge4_003980
MFCD00052173
5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE
FT-0635548
BP-11271
5-(tert-Butyl)-2-iodo-1,3-dimeth
5-tert-Butyl-2-iodo-1,3-dimethylbenzene
4-t-Butyl-2,6-dimethyl-jodbenzol
4-tert-butyl-2,6-dimethyliodobenzene

MDL Number

MFCD00052173

FAQ

What are the physical and chemical properties of 2-Iodo-1,3-dimethyl-5-(2-methyl-2-propanyl)benzene (CAS: 5122-20-3)?

2-Iodo-1,3-dimethyl-5-(2-methyl-2-propanyl)benzene has a crystalline form at room temperature. Its molecular weight is approximately 304.19 g/mol. This compound is sparingly soluble in common organic solvents like ethanol and acetone. It is moderately reactive, especially under basic conditions, making it suitable for use in certain synthetic applications. The compound is generally stable but should be stored in a cool, dry place to avoid decomposition.

How is 2-Iodo-1,3-dimethyl-5-(2-methyl-2-propanyl)benzene (CAS: 5122-20-3) typically synthesized?

2-Iodo-1,3-dimethyl-5-(2-methyl-2-propanyl)benzene can be synthesized by the iodination of 1,3-dimethyl-5-(2-methyl-2-propanyl)benzene using sodium iodide as the iodinating agent in the presence of a base. The reaction is typically carried out in an aprotic solvent like dichloromethane. This method provides good yields and can be optimized for high selectivity.

What industries use 2-Iodo-1,3-dimethyl-5-(2-methyl-2-propanyl)benzene (CAS: 5122-20-3)?

2-Iodo-1,3-dimethyl-5-(2-methyl-2-propanyl)benzene is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry for the modification of polymer chains. Additionally, this compound can be used in the production of sensors and as a reagent in semiconductor manufacturing processes due to its chemical reactivity.

What precautions should be taken when handling 2-Iodo-1,3-dimethyl-5-(2-methyl-2-propanyl)benzene (CAS: 5122-20-3)?

When handling 2-Iodo-1,3-dimethyl-5-(2-methyl-2-propanyl)benzene, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area and handled under a fume hood. In case of a spill, it should be cleaned up using appropriate spill response materials. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.