Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate

Basic Information

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CAS Number

637-07-0

Molecular Formula

C12H15ClO3

Molecular Weight

242.7 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

154-156 ºC

Density

1.14 g/mL at 25 °C

Solubility

Soluble to 100 mM in DMSO.

Refractive Index

n20/D 1.502-1.504

SMILES

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CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3

InChIKey

KNHUKKLJHYUCFP-UHFFFAOYSA-N

LogP

3.060500000000001

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

232

Safety Information

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GHS Hazard Pictograms

H302

H315

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 9 Class 9

Toxicity

LD50 in mice, rats (g/kg): 1.28, 1.65 orally (Metz)

Synonyms & References

English

ICI 28257
KBio2_007351
Ethyl clofibrate
Robigram
CLOFIBRATE [ORANGE BOOK]
Lipavil
NCGC00259963-01
ethyl 2-[(4-chlorophenyl)oxy]-2-methylpropanoate
Clobren SF
FT-0625865
Ethyl p-Chlorophenoxyisobyturate
Clofipront
Atheromide
Abitrate
Antilipide
Dura clofibrat
Klofibrat
Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate #
NCGC00015257-06
Deliva
HMS1361O19
KBioSS_002215
UPCMLD-DP019
Clofibratum
Clofibrate (USAN:USP:INN:BAN:JAN)
clofibrate
CLOFIBRATE [MART.]
Lipofacton
Chlorfenisate
Liporil
Ticlobran

MDL Number

MFCD00000615

Customs Code

2918990090

FAQ

What are the physical and chemical properties of Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 637-07-0)?

Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 637-07-0) is a crystalline solid with a molecular weight of approximately 253.81 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive, especially towards nucleophiles and basic conditions. It has a melting point of around 60-62°C and a boiling point of about 145-147°C. It is stable under normal conditions but should be stored in a dry environment to avoid hydrolysis.

How is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 637-07-0) typically synthesized?

Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 637-07-0) is typically synthesized via an esterification reaction using 2-(4-chlorophenoxy)-2-methylpropanol and ethyl chloroformate in the presence of a base like triethylamine. The reaction is carried out in an organic solvent such as dichloromethane or toluene. The product is isolated by crystallization and can be further purified by recrystallization or chromatography. The yield is generally around 70-80%, and the reaction is selective with good control over the desired product.

What industries use Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 637-07-0)?

Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 637-07-0) is used in various industries due to its specific chemical properties. It is primarily used in the pharmaceutical industry as an intermediate for the synthesis of active pharmaceutical ingredients. It also finds applications in the polymer industry for the production of certain types of polymers and in the chemical industry as a reagent for esterification reactions. Additionally, it can be used in the production of some sensors and as a component in certain semiconductors.

What precautions should be taken when handling Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 637-07-0)?

When handling Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 637-07-0), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from heat sources. Fume hoods should be used during handling to minimize exposure to vapors. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. For safety data and emergency procedures, refer to the Material Safety Data Sheet (MSDS/SDS). Always follow laboratory safety guidelines and work with experienced personnel.