Diethyl 3,5-pyridinedicarboxylate

Basic Information

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CAS Number

4591-56-4

Molecular Formula

C11H13NO4

Molecular Weight

223.23 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

49.0 to 53.0 deg-C

Boiling Point

117°C/0.5mmHg

Density

1.2±0.1 g/cm3

Flash Point

135.5±22.3 °C

Refractive Index

1.508

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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CCOC(=O)C1=CC(=CN=C1)C(=O)OCC

InChI

InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-9(7-12-6-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3

InChIKey

PGGQCHVPWSXPSI-UHFFFAOYSA-N

LogP

1.435

Topological Polar Surface Area

65.49 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

230

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

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

Synonyms & References

English

AKOS015843520
PGGQCHVPWSXPSI-UHFFFAOYSA-N
pyridine-3,5-dicarboxylic acid diethyl ester
4591-56-4
AS-15647
NSC165814
DTXSID20196656
diethyl 3,5-pyridinedicarboxylate
DIETHYL3,5-PYRIDINEDICARBOXYLATE
3,5-diethyl pyridine-3,5-dicarboxylate
MFCD00085755
IDI1_014611
A23966
CCG-250389
3,5-Pyridinedicarboxylic acid, diethyl ester
Oprea1_765188
Diethyl-3,5-pyridine dicarboxylate
AE-641/00012053
SY051285
HMS1440C12
NS00031565
3,5-Pyridinedicarboxylic Acid Diethyl Ester
SCHEMBL277284
C11H13NO4
Maybridge3_003224
Pyridine-3,5-dicarboxylic diethyl ester
CS-0151775
EINECS 224-982-7
NSC-165814
D4596
3,5-diethoxycarbonyl pyridine

MDL Number

MFCD00085755

FAQ

What regulatory guidelines apply to Diethyl 3,5-pyridinedicarboxylate (CAS: 4591-56-4)?

Diethyl 3,5-pyridinedicarboxylate (CAS: 4591-56-4) is subject to various regulatory guidelines, including GHS classification for hazardous chemicals, REACH regulations for the European Union, and FDA/EPA requirements for safety and environmental protection. Users must comply with local and international safety standards for handling, storage, and disposal of this chemical.

Are there alternatives to Diethyl 3,5-pyridinedicarboxylate (CAS: 4591-56-4) in synthesis?

While Diethyl 3,5-pyridinedicarboxylate (CAS: 4591-56-4) is a specific compound, alternatives such as other pyridine dicarboxylates or their analogues may be used in synthesis. Common substitutes include ethyl 3,5-pyridinedicarboxylate or isomers like 2,6-pyridinedicarboxylic acid, depending on the specific application and desired properties.

What is the market or research trend for Diethyl 3,5-pyridinedicarboxylate (CAS: 4591-56-4)?

The market for Diethyl 3,5-pyridinedicarboxylate (CAS: 4591-56-4) is growing due to its applications in the pharmaceutical and chemical industries. Research trends are focusing on its use in drug development and as a precursor in the synthesis of other compounds. Market dynamics indicate increasing demand for this versatile chemical in innovative applications.

How should waste containing Diethyl 3,5-pyridinedicarboxylate (CAS: 4591-56-4) be handled?

Waste containing Diethyl 3,5-pyridinedicarboxylate (CAS: 4591-56-4) should be collected in appropriate containers and handled according to local regulations. Incineration or professional waste disposal services are recommended for safe disposal. Environmental precautions include proper containment to prevent release into the environment and adherence to all safety guidelines to protect against potential hazards.