Pyrrole-2,3,5-tricarboxylic acid

Basic Information

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CAS Number

945-32-4

Molecular Formula

C7H5NO6

Molecular Weight

199.12 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

Physical State

White to Yellow Solid

SMILES

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C1=C(NC(=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C7H5NO6/c9-5(10)2-1-3(6(11)12)8-4(2)7(13)14/h1,8H,(H,9,10)(H,11,12)(H,13,14)

InChIKey

UGSAVTSXHXRENH-UHFFFAOYSA-N

LogP

0.1092999999999999

Topological Polar Surface Area

127.68999999999998 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

288

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

1H-Pyrrole-2,3,5-tricarboxylic acid
Pyrrole-2,3,5-tricarboxylic Acid
2,3,5-Ptca
CL4522
Pyrrol-2,3,5-tricarbonsaeure
WT1338
Pyrrole-2,3,5-tricarboxylic acid (6CI, 7CI, 8CI)
SCHEMBL436330
DTXCID70163999
Pyrrole-2,3,5-tricarboxylicacid
AS-45977
SB62313
MFCD09991933
AKOS006321511
DB-291418
1H-Pyrrole-2,3,5-tricarboxylicacid
945-32-4
Pyrrole-2,3,5-tricarboxylic acid
CS-0139651
DTXSID10241508

MDL Number

MFCD09991933

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Pyrrole-2,3,5-tricarboxylic acid (CAS: 945-32-4)?

Pyrrole-2,3,5-tricarboxylic acid (CAS: 945-32-4) is a crystalline solid with a molecular weight of approximately 234.11 g/mol. It is soluble in water and less soluble in organic solvents. This compound is known for its acidic nature and forms colorless to white crystals. It is moderately reactive, particularly in acid-base reactions and esterification processes.

How is Pyrrole-2,3,5-tricarboxylic acid (CAS: 945-32-4) typically synthesized?

Pyrrole-2,3,5-tricarboxylic acid is synthesized through the condensation of pyrrole-2-carboxylic acid and 4-carboxy-3-hydroxybenzaldehyde, or by reacting 4-carboxybenzaldehyde with pyrrole-2-carboxylic acid in the presence of an acid catalyst. The reaction typically yields high selectivity and moderate to high yield, depending on the specific conditions used.

What industries use Pyrrole-2,3,5-tricarboxylic acid (CAS: 945-32-4)?

Pyrrole-2,3,5-tricarboxylic acid (CAS: 945-32-4) is used in the pharmaceutical industry for drug synthesis, in polymer production to improve mechanical properties, in sensor technology to develop functional materials, and in semiconductor industries for specific applications requiring high purity.

What precautions should be taken when handling Pyrrole-2,3,5-tricarboxylic acid (CAS: 945-32-4)?

When handling Pyrrole-2,3,5-tricarboxylic acid (CAS: 945-32-4), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work in a fume hood to minimize inhalation risks. Spills should be cleaned up carefully to avoid skin contact, and proper waste disposal procedures should be followed. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.