Pyrrole-3-carboxylic acid

Basic Information

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CAS Number

931-03-3

Molecular Formula

C5H5NO2

Molecular Weight

111.1 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

148°C(dec.)

Boiling Point

340.3ºCat760mmHg

Density

1.383g/cm3

Water Solubility

Soluble in water.

Flash Point

159.6℃

Refractive Index

1.604

SMILES

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C1=CNC=C1C(=O)O

InChI

InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)

InChIKey

DOYOPBSXEIZLRE-UHFFFAOYSA-N

LogP

0.7128999999999999

Topological Polar Surface Area

53.089999999999996 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

103

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1H-Pyrrole-3-carboxylic acid
Pyrrole-3-carboxylic Acid
C5H5NO2
3-CARBOXYPYRROLE
PYHrole-3-carboxylic Acid
PYRROLE-3-CARBOXYLIC
PYRROLE-3-CARBOXYLIC ACID HYDRATE
Pyrrole-3-carboxylic acid (6CI, 7CI, 8CI)
3-Carboxypyrrole
1H-pyrrole-3-carboxylic acid
pyrrole 3-carboxylic acid
MFCD00800594
SCHEMBL153032
1h-pyrrole-3-carboxylic acid anhydrous
CS-W002692
Pyrrole-3-carboxylic acid, >=96%
BDBM50543165
1H-pyrrol-3-carbonsäure
DTXSID90900989
3-pyrrole-carboxylic acid
DB-016186
BCP08157
PKN
FG-0412
Z1154253207
MB01464
CHEMBL79155
BBL100998
3-pyrrolecarboxylic acid
Q-101890
EN300-73588

MDL Number

MFCD00800594

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Pyrrole-3-carboxylic acid (CAS: 931-03-3)?

Pyrrole-3-carboxylic acid is a white crystalline solid with a molecular weight of approximately 130.11 g/mol. It is sparingly soluble in water and more soluble in organic solvents. The compound is mildly acidic and reacts with bases to form salts. It is also known for its low volatility and stability under normal conditions.

How is Pyrrole-3-carboxylic acid (CAS: 931-03-3) typically synthesized?

Pyrrole-3-carboxylic acid is often synthesized via the condensation of pyrrole-3-carbonyl chloride with an amine, followed by hydrolysis. Another method involves the reaction of 3-formylpyrrole with a weak base, which can be catalyzed by a suitable acid or base. The yield and selectivity of these reactions depend on the specific reagents and conditions used.

What industries use Pyrrole-3-carboxylic acid (CAS: 931-03-3)?

Pyrrole-3-carboxylic acid finds applications in pharmaceuticals, where it serves as a precursor for drug synthesis. It is also utilized in the production of polymers and as a building block in the synthesis of various organic compounds. Additionally, it plays a role in the manufacture of sensors and semiconductors.

What precautions should be taken when handling Pyrrole-3-carboxylic acid (CAS: 931-03-3)?

When handling Pyrrole-3-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or fume hood to avoid inhalation of dust. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed safety information.