4-Oxo-4H-pyran-2,6-dicarboxylic acid hydrate (1:1)

Basic Information

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CAS Number

6003-94-7

Molecular Formula

C7H6O7

Molecular Weight

202.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

265 ºC

Boiling Point

471.3°C at 760 mmHg

Flash Point

204°C

SMILES

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C1=C(OC(=CC1=O)C(=O)O)C(=O)O.O

InChI

InChI=1S/C7H4O6.H2O/c8-3-1-4(6(9)10)13-5(2-3)7(11)12;/h1-2H,(H,9,10)(H,11,12);1H2

InChIKey

KJZJAKSEIQOKAK-UHFFFAOYSA-N

LogP

-0.7885

Topological Polar Surface Area

136.31 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

316

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

4-Oxo-4H-pyran-2,6-dicarboxylic acid hydrate
MFCD00149433
6003-94-7
AMY25161
AKOS025311061
SCHEMBL3328070
AS-75590
CS-0128733
BCP20134
FT-0623585
D89334
A851239
4-Oxo-4H-pyran-2,6-dicarboxylic acid monohydrate
4-oxopyran-2,6-dicarboxylic acid;hydrate
Chelidonic Acid Monohydrate, >/=95%
Chelidonic acid monohydrate
KJZJAKSEIQOKAK-UHFFFAOYSA-N
4-oxo-4H-pyran-2,6-dicarboxylic acid hydrate
CHELIDONIC ACID 1-HYDRATE
Chelidonic acid Monohydrate 25GR
Chelidonic acid Monohydrate 5GR
Chelidonic acid monohydrate, 96%
compound XI* hydrate
C7H4O6.H2O
7827AF
OR46508
2,6-Dicarboxy-4-oxo-4H-pyran monohydrate
4H-Pyran-2,6-dicarboxylicacid, 4-oxo-, hydrate (1:1)

MDL Number

MFCD00149433

Customs Code

2932999099

FAQ

What regulatory guidelines apply to 4-Oxo-4H-pyran-2,6-dicarboxylic acid hydrate (CAS: 6003-94-7)?

4-Oxo-4H-pyran-2,6-dicarboxylic acid hydrate (CAS: 6003-94-7) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements. It is classified as a hazardous substance due to its corrosive properties, requiring appropriate labeling and handling during transportation and storage.

Are there alternatives to 4-Oxo-4H-pyran-2,6-dicarboxylic acid hydrate (CAS: 6003-94-7) in synthesis?

Yes, there are alternatives such as 2,6-pyridinedicarboxylic acid and other dicarboxylic acids that can serve as substitutes in synthesis. These alternatives may offer similar functionalities but may vary in reactivity and availability, making them suitable for specific applications depending on the desired end product.

What is the market or research trend for 4-Oxo-4H-pyran-2,6-dicarboxylic acid hydrate (CAS: 6003-94-7)?

The market for 4-Oxo-4H-pyran-2,6-dicarboxylic acid hydrate (CAS: 6003-94-7) is driven by its use in pharmaceuticals and organic synthesis. Research trends are focusing on its potential in polymer synthesis and as a precursor in chemical reactions. Price trends are influenced by supply chain disruptions and demand fluctuations in these industries.

How should waste containing 4-Oxo-4H-pyran-2,6-dicarboxylic acid hydrate (CAS: 6003-94-7) be handled?

Waste containing 4-Oxo-4H-pyran-2,6-dicarboxylic acid hydrate (CAS: 6003-94-7) should be collected in appropriate containers, labeled as corrosive, and disposed of through professional waste disposal services. Incineration is a suitable method, ensuring complete destruction and compliance with environmental regulations. Proper protective measures and safety protocols should be followed to prevent environmental contamination and ensure worker safety.