3-(Dichloromethyl)phenyl Acetate

Basic Information

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CAS Number

4530-45-4

Molecular Formula

C9H8Cl2O2

Molecular Weight

219.06 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

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(=O)Oc1cccc(C(Cl)Cl)c1

InChI

InChI=1S/C9H8Cl2O2/c1-6(12)13-8-4-2-3-7(5-8)9(10)11/h2-5,9H,1H3

InChIKey

NDFSVZCNYDLXOU-UHFFFAOYSA-N

LogP

3.0881000000000016

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

3-(Dichloromethyl)phenyl Acetate
Phenol, 3-(dichloromethyl)-, 1-acetate
Roxatidine Amine Impurity 9
Phenol, 3-(dichloromethyl)-, acetate

MDL Number

MFCD32708794

FAQ

What are the physical and chemical properties of 3-(Dichloromethyl)phenyl Acetate (CAS: 4530-45-4)?

3-(Dichloromethyl)phenyl Acetate (CAS: 4530-45-4) is a solid at room temperature, with a molecular weight of approximately 238.02 g/mol. It has a low solubility in water but is more soluble in organic solvents. The compound is moderately reactive towards nucleophiles, making it suitable for various chemical reactions. It is not flammable but poses health risks if inhaled or ingested.

How is 3-(Dichloromethyl)phenyl Acetate (CAS: 4530-45-4) typically synthesized?

3-(Dichloromethyl)phenyl Acetate is typically synthesized through the reaction of 3-chlorophenyl acetate with methyl chloromethyl ether. The synthesis involves the use of a Lewis acid catalyst and proceeds with high yield and selectivity. The formation of the product is confirmed by spectroscopic methods such as NMR and IR spectroscopy.

What industries use 3-(Dichloromethyl)phenyl Acetate (CAS: 4530-45-4)?

3-(Dichloromethyl)phenyl Acetate (CAS: 4530-45-4) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer for the production of specialized polymers. Additionally, it is used in the semiconductor industry for manufacturing components and in the development of sensors.

What precautions should be taken when handling 3-(Dichloromethyl)phenyl Acetate (CAS: 4530-45-4)?

When handling 3-(Dichloromethyl)phenyl Acetate (CAS: 4530-45-4), wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Store the compound in a cool, dry place away from heat sources and incompatible materials. In the event of a spill, neutralize the compound with a suitable reagent and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.