Iodomethyl pivalate

Basic Information

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CAS Number

53064-79-2

Molecular Formula

C6H11IO2

Molecular Weight

242.06 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

Melting Point

33-35 °C

Boiling Point

66°C/11mmHg

Density

1.614

Flash Point

194 °F

Refractive Index

1.4830 to 1.4870

SMILES

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CC(C)(C)C(=O)OCI

InChI

InChI=1S/C6H11IO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3

InChIKey

PELJISAVHGXLAL-UHFFFAOYSA-N

LogP

1.9682000000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

104

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H341 Suspected of causing genetic defects
Germ cell mutagenicity

Hazard Class

Class 8 Class 8

Synonyms & References

English

2,2-Dimethylpropanoic acid, iodomethyl ester
pivalic acid iodomethyl ester
pivaloyloxymethyliodide
DTXSID70201128
AKOS015892725
EN300-123433
iodomethyl trimethylacetate
2,2-dimethylpropionic acid, iodomethyl ester
2,2-dimethyl-propionic acid iodo-methyl ester
2,2-Dimethylpropionic Acid Iodomethyl Ester
FT-0640126
pivaloyloxymethyl iodide
CS-0066217
NS00032644
Trimethylacetic Acid Iodomethyl Ester
Propanoic acid, 2,2-dimethyl-, iodomethyl ester
I0912
BS-13181
SCHEMBL248949
MFCD02179270
2,2-dimethyl-propionic acid iodomethyl ester
Iodomethyl 2,2-Dimethylpropionate
(Pivaloyloxy)methyl Iodide
AMY13386
iodomethyl 2,2-dimethylpropanoate
2,2-Dimethyl-propanoic Acid Iodomethyl Ester
Iodomethyl Pivalate (stabilized with Copper chip)
A829379
53064-79-2
Iodomethyl pivalate
EINECS 258-339-7

MDL Number

MFCD02179270

FAQ

What are the physical and chemical properties of Iodomethyl pivalate (CAS: 53064-79-2)?

Iodomethyl pivalate (CAS: 53064-79-2) is a clear, colorless liquid with a density of approximately 1.09 g/cm³ and a molecular weight of 218.93 g/mol. It has a high boiling point of around 125°C and is slightly soluble in water but soluble in organic solvents. It is moderately reactive under basic conditions and stable under acidic conditions.

How is Iodomethyl pivalate (CAS: 53064-79-2) typically synthesized?

Iodomethyl pivalate (CAS: 53064-79-2) is typically synthesized via a Grignard reaction involving pivaloylmagnesium bromide and iodomethane. The reaction is conducted in dry THF at low temperatures, and the product is obtained with moderate yield and good purity.

What industries use Iodomethyl pivalate (CAS: 53064-79-2)?

Iodomethyl pivalate (CAS: 53064-79-2) is primarily used in the pharmaceutical industry for the synthesis of chiral compounds. It also finds applications in the production of polymers, where it serves as a monomer, and in the chemical sensor industry for detecting various compounds.

What precautions should be taken when handling Iodomethyl pivalate (CAS: 53064-79-2)?

When handling Iodomethyl pivalate (CAS: 53064-79-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Use a fume hood to minimize inhalation risks. Store the compound in a cool, dry place, away from heat sources and oxidizing agents. In case of a spill, immediately clean up with appropriate absorbent materials and follow the Safety Data Sheet (SDS) guidelines for disposal.