Ethyl (3,4-difluorophenyl)(oxo)acetate

Basic Information

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CAS Number

73790-05-3

Molecular Formula

C10H8F2O3

Molecular Weight

214.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

285.3 °C at 760 mmHg

Density

1.291

Flash Point

122.5 °C

Refractive Index

1.482

SMILES

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CCOC(=O)C(=O)C1=CC(=C(C=C1)F)F

InChI

InChI=1S/C10H8F2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3

InChIKey

DYIBSNLBZKOXNA-UHFFFAOYSA-N

LogP

1.7106000000000001

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

255

Safety Information

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Hazard Statement

Synonyms & References

English

SCHEMBL3184223
2-(3,4-difluorophenyl)-2-oxoacetic acid ethyl ester
AKOS009028806
ethyl 2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethanoate
Benzeneacetic acid,3,4-difluoro-
Ethyl 3,4-difluorobenzoylformate
FT-0641485
A-oxo-,ethyl ester
PS-7962
BP-11150
ethyl 2-(3,4-difluorophenyl)-2-oxoacetate
CS-0197399
A837926
Ethyl 3,4-difluorophenylglyoxylate
Z104341882
DYIBSNLBZKOXNA-UHFFFAOYSA-N
EN300-14489
MFCD01319619
73790-05-3
DTXSID60378994
E73909
Ethyl (3,4-difluorophenyl)(oxo)acetate
Benzeneacetic acid,3,4-difluoro-a-oxo-,ethyl ester

MDL Number

MFCD01319619

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Ethyl (3,4-difluorophenyl)(oxo)acetate (CAS: 73790-05-3)?

Ethyl (3,4-difluorophenyl)(oxo)acetate is a crystalline compound with a high molecular weight. It exhibits low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is known for its moderate reactivity, particularly towards nucleophiles and reducing agents. It has a distinctive melting point and is stable under normal conditions.

How is Ethyl (3,4-difluorophenyl)(oxo)acetate (CAS: 73790-05-3) typically synthesized?

Ethyl (3,4-difluorophenyl)(oxo)acetate is synthesized through the reaction of ethyl acetoacetate with 3,4-difluorophenyl isocyanate in the presence of a suitable catalyst such as triethylamine. The process involves careful control of temperature and reaction time to achieve high yield and selectivity.

What industries use Ethyl (3,4-difluorophenyl)(oxo)acetate (CAS: 73790-05-3)?

Ethyl (3,4-difluorophenyl)(oxo)acetate is primarily used in the pharmaceutical industry for the synthesis of various bioactive compounds. It also finds applications in the polymer industry, where it serves as a functional monomer. Additionally, it is used in the development of sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling Ethyl (3,4-difluorophenyl)(oxo)acetate (CAS: 73790-05-3)?

When handling Ethyl (3,4-difluorophenyl)(oxo)acetate, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Proper spill handling procedures should be in place, and the material safety data sheet (SDS) should be consulted for detailed safety information.