Methyl (4-chlorophenyl)acetate

Basic Information

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CAS Number

52449-43-1

Molecular Formula

C9H9ClO2

Molecular Weight

184.62 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

Boiling Point

115°C/6mmHg

Density

1.2

Flash Point

250 °C

Refractive Index

1.522-1.524

SMILES

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COC(=O)CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H9ClO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3

InChIKey

WWIYGBWRUXQDND-UHFFFAOYSA-N

LogP

2.0555

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

151

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

methyl 2-(4-chlorophenyl)acetate
(4-Chlorophenyl)acetic Acid Methyl Ester
EINECS 257-927-0
FT-0640070
DTXSID60200448
SCHEMBL191324
Z18425668
methyl-2-(4-chlorophenyl)acetate
AMY39242
Benzeneacetic acid, 4-chloro-, methyl ester
M2039
52449-43-1
SY051360
4-chloro-2-phenyl-acetic acid methyl ester
W-105824
methyl p-chlorophenylacetate
BCP11098
(4-chlorophenyl)-acetic acid methyl ester
Methyl 4-Chlorophenyl acetate
(4-Chloro-phenyl)-acetic acid methyl ester
methyl(4-chlorophenyl)acetate
AKOS000295887
NS00032509
Methyl 4-chlorophenylacetate
Methyl (4-chlorophenyl)acetate
glycopyrroniumbromide
Methyl (4-chlorophenyl)acetate #
4-Chlorophenylacetic acid methyl ester
EN300-142043
CS-W022850
methyl-(4-chlorophenyl)-acetate

MDL Number

MFCD00032743

Customs Code

2916399090

FAQ

What regulatory guidelines apply to methyl (4-chlorophenyl)acetate (CAS: 52449-43-1)?

Methyl (4-chlorophenyl)acetate (CAS: 52449-43-1) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a Category 2 skin corrosion/irritation and Category 3 acute toxicity. It is regulated under the REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) in the European Union, which requires manufacturers to provide safety data sheets and conduct risk assessments. Additionally, the U.S. FDA and EPA require proper labeling, storage, and handling to ensure the safety of workers and the environment.

Are there alternatives to methyl (4-chlorophenyl)acetate (CAS: 52449-43-1) in synthesis?

There are several alternatives to methyl (4-chlorophenyl)acetate (CAS: 52449-43-1) in synthesis, including methyl (3-chlorophenyl)acetate and ethyl (4-chlorophenyl)acetate. These compounds can serve similar roles in organic synthesis, but their properties and reactivity may differ. Using these alternatives can provide safer and more environmentally friendly options in certain cases, depending on the specific application.

What is the market or research trend for methyl (4-chlorophenyl)acetate (CAS: 52449-43-1)?

The market for methyl (4-chlorophenyl)acetate (CAS: 52449-43-1) remains stable, with increasing emphasis on sustainable and eco-friendly chemical processes. Research trends are focusing on developing safer alternatives and reducing environmental impact. The compound is primarily used in the fragrance and flavor industry, but there is growing interest in its potential applications in pharmaceuticals and agrochemicals.

How should waste containing methyl (4-chlorophenyl)acetate (CAS: 52449-43-1) be handled?

Waste containing methyl (4-chlorophenyl)acetate (CAS: 52449-43-1) should be handled according to national and local regulations. Proper collection and storage of waste are crucial to prevent environmental contamination. Incineration is a common method for disposal, provided it is done in a controlled and compliant manner. Professional waste disposal services are recommended to ensure compliance with environmental protection standards and to minimize health risks for workers and the community.