(4-Iodobutyl) pivalate

Basic Information

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CAS Number

82131-05-3

Molecular Formula

C9H17IO2

Molecular Weight

284.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Flash Point

112.269℃

SMILES

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ICCCCOC(=O)C(C)(C)C

InChI

InChI=1S/C9H17IO2/c1-9(2,3)8(11)12-7-5-4-6-10/h4-7H2,1-3H3

InChIKey

MGIGUULSKMFMTP-UHFFFAOYSA-N

LogP

2.7909000000000015

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

4-Iodobutyl Pivalate
(4-Iodobutyl)Pivalate
4-iodobutyl 2,2-dimethylpropanoate

MDL Number

MFCD11502135

FAQ

What are the physical and chemical properties of (4-Iodobutyl) pivalate (CAS: 82131-05-3)?

(4-Iodobutyl) pivalate (CAS: 82131-05-3) is a colorless to slightly yellow liquid with a molecular weight of approximately 272.22. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is moderately reactive towards nucleophiles and is stable under normal storage conditions. It has a pKa of around 16 and decomposes above 150°C.

How is (4-Iodobutyl) pivalate (CAS: 82131-05-3) typically synthesized?

(4-Iodobutyl) pivalate (CAS: 82131-05-3) is typically synthesized via the esterification reaction of pivaloyl chloride with 4-iodobutanol. The reaction is catalyzed by a strong acid like sulfuric acid, with a yield of about 90%. The reaction is carried out at room temperature, and the product is purified by distillation.

What industries use (4-Iodobutyl) pivalate (CAS: 82131-05-3)?

(4-Iodobutyl) pivalate (CAS: 82131-05-3) is used in various industries, particularly in the pharmaceutical sector for the synthesis of certain drug compounds. It is also utilized in the polymer industry as an additive for enhancing the mechanical properties of polymers. Additionally, it finds applications in the production of sensors and semiconductors due to its specific chemical functionality.

What precautions should be taken when handling (4-Iodobutyl) pivalate (CAS: 82131-05-3)?

When handling (4-Iodobutyl) pivalate (CAS: 82131-05-3), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, use a fume hood and follow safety procedures for organic solvents. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.