Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate

Basic Information

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CAS Number

96568-04-6

Molecular Formula

C10H8Cl2FNO3

Molecular Weight

280.08 g/mol

Basic Physical Properties

Melting Point

66.0 to 72.0 deg-C

Boiling Point

363.4±37.0℃ at 760 mmHg

Density

1.4602 (estimate)

Flash Point

165.4 °C

Refractive Index

1.524

SMILES

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CCOC(=O)CC(=O)C1=CC(=C(N=C1Cl)Cl)F

InChI

InChI=1S/C10H8Cl2FNO3/c1-2-17-8(16)4-7(15)5-3-6(13)10(12)14-9(5)11/h3H,2,4H2,1H3

InChIKey

IEUHWNLWVMLHHC-UHFFFAOYSA-N

LogP

3.011000000000002

Topological Polar Surface Area

56.260000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

303

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

Ethyl 4-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxobutanoate
Ethyl 2,6-dichloro-5-fluoropyridine-3-acetoacetate
Ethyl 2,6-dichloro-5-fluornicotinoylacetate
Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate
Ethyl 3-[2,6-dichloro-5-fluoro-(3-pyridiyl)]-3-oxopropanoate
Ethyl 2,6-Dichloro-5-Fluoro
Nicotinylacetate
Ethyl 2,6-Dichloro-5-Fluoro-Pyridine-3-Acetoacetate
Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate
3-(2,6-Dichloro-5-fluoropyridin-3-yl)-3-oxopropanoic Acid Ethyl Ester
Ethyl 2,6-dichloro-5-fluoronicotinoylacetate
(2,6-Dichloro-5-fluoronicotinoyl)acetic Acid Ethyl Ester
3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionic Acid Ethyl Ester
Ethyl (2,6-Dichloro-5-fluoronicotinoyl)acetate
Ethyl 2,6-Dichloro-5-Fluoro Nicotinylacetate
ethyl 3-(2,6-dichloro-5-fluoro(3-pyridyl))-3-oxopropanoate
PubChem10944
C10H8Cl2FNO3
DSSTox_CID_29338
DSSTox_RID_83454
DSSTox_GSID_49379
Ethyl2,6-dichloro-5-fluorop
Ethyl 2,6-dichloro-5-fluoro-β-oxo-3-pyridinepropanoate (ACI)
Ethyl 3-(2,6-dichloro-5-fluoro-3-pyridyl)-3-oxopropanoate
Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropionate
SCHEMBL1389163
NCGC00260451-01
Tox21_202905
ethyl 3-(2,6-dichloro-5-fluoro-3-pyridyl)-3-oxopropanoate
DTXSID4049379
AC-7742

MDL Number

MFCD00799535

Customs Code

2933399090

FAQ

What is Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate (CAS: 96568-04-6)?

Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate is an organic compound with the CAS number 96568-04-6. It is a derivative of propanoic acid, featuring an ethyl group and a 2,6-dichloro-5-fluoropyridin-3-yl substituent. This compound is known for its stability and is commonly used in synthetic chemistry applications. It has a molecular formula of C10H8Cl2FNO3 and is typically a solid at room temperature with moderate solubility in organic solvents.

What are the main uses of Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate (CAS: 96568-04-6)?

Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate is primarily used in pharmaceutical research as an intermediate for drug development. It plays a role in the synthesis of various bioactive compounds and is also applied in organic synthesis for creating complex molecules. Its unique structure makes it valuable in the design of compounds with specific biological activities, such as inhibitors or modulators in drug targeting. It is also used in industrial and research settings for chemical reactions and compound modification.

Is Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate (CAS: 96568-04-6) safe?

Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate is generally considered safe when handled properly. However, it should be treated with caution due to potential irritant properties. Protective measures such as gloves, goggles, and a fume hood are recommended during handling. Safety standards require adherence to standard chemical safety protocols, and it is important to follow guidelines for exposure limits and proper disposal to ensure environmental and personal safety.

How should Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate (CAS: 96568-04-6) be stored?

Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate should be stored in a cool, dry place away from direct light. It is best kept in a sealed container to prevent moisture absorption and degradation. Storage conditions should maintain a temperature below 25°C and a relative humidity level below 60%. It is important to store the compound in a well-ventilated area and avoid exposure to incompatible materials to ensure stability and safety.