3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid

Basic Information

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CAS Number

5434-29-7

Molecular Formula

C8H9NO4

Molecular Weight

183.16 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

Boiling Point

456.8 °C at 760 mmHg

Density

1.461

Flash Point

230.1 °C

SMILES

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CC1=C(NC(=C1C(=O)O)C)C(=O)O

InChI

InChI=1S/C8H9NO4/c1-3-5(7(10)11)4(2)9-6(3)8(12)13/h9H,1-2H3,(H,10,11)(H,12,13)

InChIKey

LGAFIBCWNKPENX-UHFFFAOYSA-N

LogP

1.02794

Topological Polar Surface Area

90.38999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

240

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3,5-Dimethyl-2,4-pyrroledicarboxylic acid
DTXSID20280180
FT-0684093
3,5-dimethylpyrrole-2,4-dicarboxylic acid
MFCD00826671
NSC-15758
Oprea1_664742
AS-50104
SCHEMBL5513393
2,4-Dimethyl-1H-pyrrole-3,5-dicarboxylic acid
NSC 15758
NSC15758
SB63902
EN300-12033
AC-6179
2-Benzothiazolamine, 4,5-dimethyl-
Z57986545
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid
1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-
AKOS001098671
5434-29-7
O10924
3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylicacid
CS-0153630
3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid
3,5-Dimethylpyrrole-2,4-dicarboxylic acid
3,5-Dimethyl-pyrrol-2,4-dicarbonsaeure
3,5-dimethyl-pyrrole-2,4-dicarboxylic acid
STK373647
SBB083436
7830AB

MDL Number

MFCD00826671

Customs Code

2933990090

FAQ

What is 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid (CAS: 5434-29-7)?

3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid, also known as 3,5-dimethylpyrrole-2,4-dicarboxylic acid, is a chemical compound with the CAS number 5434-29-7. It is a white crystalline solid with a characteristic odor and a molecular formula of C7H8N2O4. This compound is characterized by its acidic nature and is used in various applications due to its unique properties.

What are the main uses of 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid (CAS: 5434-29-7)?

3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid (CAS: 5434-29-7) is widely used in the pharmaceutical industry for the synthesis of various drugs. It is also utilized in the production of organic pigments, dyes, and other chemical intermediates. Additionally, it finds applications in research and development for its unique chemical structure.

Is 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid (CAS: 5434-29-7) safe?

3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid (CAS: 5434-29-7) is generally considered safe when handled properly. It is important to follow safety guidelines, such as wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. Direct contact with skin or eyes, as well as inhalation, should be avoided. It is advisable to consult a safety data sheet (SDS) for detailed safety information.

How should 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid (CAS: 5434-29-7) be stored?

3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid (CAS: 5434-29-7) should be stored in a cool, dry place away from direct sunlight and sources of heat. It is recommended to store the compound in a tightly sealed container to prevent moisture absorption. The storage temperature should be kept below 25°C to maintain its stability. Proper labeling and storage in a secure area are essential to ensure safety.