Ethyl 5-(chloromethyl)-2-furoate

Basic Information

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CAS Number

2528-00-9

Molecular Formula

C8H9ClO3

Molecular Weight

188.61 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 Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

115 °C/0.015 mmHg

Refractive Index

n20/D 1.511(lit.)

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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CCOC(=O)C1=CC=C(O1)CCl

InChI

InChI=1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3

InChIKey

JBACYJRMCXLIQU-UHFFFAOYSA-N

LogP

2.1951

Topological Polar Surface Area

39.44 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

160

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

EN300-49291
MFCD00173837
DTXSID90294638
SCHEMBL852957
BB 0241616
5-chloromethyl-furan-2-carboxylic acid ethyl ester
ethyl 5-chloromethyl-furan-2-carboxylate
5-(chloro-methyl)-furan-2-carboxylic acid ethyl ester
NSC-97518
AC-22973
SB61781
W-200259
JBACYJRMCXLIQU-UHFFFAOYSA-N
DS-16243
ethyl 5-(chloromethyl)-2-furoate
ethyl 5-(chloromethyl)-2-furan-carboxylate
Ethyl 5-(chloromethyl)-2-furancarboxylate
CS-W005896
5-Chloromethyl-2-furancarboxylic Acid Ethyl Ester
Ethyl 5-(chloromethyl)-2-furancarboxylate, 95%
GEO-01329
FT-0620322
A817757
2-Furancarboxylic acid, 5-(chloromethyl)-, ethyl ester
J-640027
Ethyl 5-Chloromethyl-2-furancarboxylate
Ethyl 5-nitro-benzofuran-2-carboxylate
2-Furancarboxylic acid,5-(chloromethyl)-, ethyl ester
ethyl 5-(chloromethyl)furan-2-carboxylate
ethyl 5-(chloromethyl)-2-furan carboxylate
NSC97518

MDL Number

MFCD00173837

Customs Code

2932190090

FAQ

What are the physical and chemical properties of Ethyl 5-(chloromethyl)-2-furoate (CAS: 2528-00-9)?

Ethyl 5-(chloromethyl)-2-furoate (CAS: 2528-00-9) is a crystalline compound with a molecular weight of approximately 186.04 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly with nucleophiles and bases. It is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight.

How is Ethyl 5-(chloromethyl)-2-furoate (CAS: 2528-00-9) typically synthesized?

Ethyl 5-(chloromethyl)-2-furoate (CAS: 2528-00-9) can be synthesized via the reaction of ethyl furan-2-carboxylate with phosgene in the presence of a catalyst such as N,N-dimethylformamide (DMF). The reaction produces the title compound with good yield and selectivity. This method is commonly used in academic and industrial settings.

What industries use Ethyl 5-(chloromethyl)-2-furoate (CAS: 2528-00-9)?

Ethyl 5-(chloromethyl)-2-furoate (CAS: 2528-00-9) is primarily used in the pharmaceutical industry for the synthesis of certain drug candidates. It is also utilized in the chemical industry for the production of intermediates and in the sensor technology sector for developing gas sensors. Its unique properties make it valuable in these and other specialized applications.

What precautions should be taken when handling Ethyl 5-(chloromethyl)-2-furoate (CAS: 2528-00-9)?

When handling Ethyl 5-(chloromethyl)-2-furoate (CAS: 2528-00-9), ensure proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a well-ventilated area and used under a fume hood to minimize inhalation risk. In case of spills, neutralize with an appropriate base and clean up with absorbent material. Always refer to the Safety Data Sheet (SDS) for detailed information and emergency procedures.