4-(1H-pyrrol-1-yl)benzoic acid

Basic Information

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CAS Number

22106-33-8

Molecular Formula

C11H9NO2

Molecular Weight

187.2 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

286-289 °C

Boiling Point

355.5°Cat760mmHg

Density

1.18

Flash Point

168.8°C

SMILES

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C1=CN(C=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H9NO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,(H,13,14)

InChIKey

NLSIIPKSANRIGS-UHFFFAOYSA-N

LogP

2.1755000000000004

Topological Polar Surface Area

42.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

203

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Moisture Sensitive

Synonyms & References

English

J-200060
4-(1-PYRROLYL)BENZOIC ACID
4-(1H-Pyrrol-1-yl)benzoic acid, 99%
EN300-13250
Maybridge1_008067
CHEMBL262601
AKOS000103580
SDCCGMLS-0066059.P001
1-(4-Carboxyphenyl)pyrrole
NLSIIPKSANRIGS-UHFFFAOYSA-N
4-(1H-pyrrol-1yl)benzoic acid
4-(pyrrole-1-yl) benzoic acid
4-(1-Pyrrolo)benzoic acid
BENZOIC ACID,4-(1H-PYRROL-1-YL)-
HMS564G15
InChI=1/C11H9NO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,(H,13,14
Z57352968
4-(1H-Pyrrol-1-yl)benzoic acid
22106-33-8
4-pyrrol-1-ylbenzoic acid
Oprea1_671922
4-(1H-PYRROL-1-YL)BENZOICACID
VU0483996-1
DTXSID00371949
F3284-8102
N-(4-Carboxy)phenylpyrrole
SCHEMBL217623
CS-0073064
4-pyrrol-1-yl-benzoic acid
SB62148
MFCD00082569

MDL Number

MFCD00082569

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 4-(1H-pyrrol-1-yl)benzoic acid (CAS: 22106-33-8)?

4-(1H-pyrrol-1-yl)benzoic acid (CAS: 22106-33-8) is subject to regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in Europe, and FDA and EPA requirements in the United States. It is important to follow these guidelines for proper handling, storage, and disposal to ensure safety and compliance.

Are there alternatives to 4-(1H-pyrrol-1-yl)benzoic acid (CAS: 22106-33-8) in synthesis?

Alternatives to 4-(1H-pyrrol-1-yl)benzoic acid (CAS: 22106-33-8) in synthesis include other pyrrolo-benzoic acids or related compounds. Common alternatives include 3-pyridinecarboxylic acid and 2-pyridone, which can be used as starting materials or reaction intermediates in similar chemical reactions.

What is the market or research trend for 4-(1H-pyrrol-1-yl)benzoic acid (CAS: 22106-33-8)?

The market and research trends for 4-(1H-pyrrol-1-yl)benzoic acid (CAS: 22106-33-8) indicate growing interest in its use as a precursor in drug synthesis and as a functional material in polymer science. Recent studies are focusing on its applications in anti-inflammatory and anti-cancer drug development, as well as in the preparation of photovoltaic materials.

How should waste containing 4-(1H-pyrrol-1-yl)benzoic acid (CAS: 22106-33-8) be handled?

Waste containing 4-(1H-pyrrol-1-yl)benzoic acid (CAS: 22106-33-8) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration or chemical neutralization may be necessary to ensure complete destruction and reduction of environmental impact. Proper handling and disposal are crucial to prevent contamination and ensure compliance with environmental regulations.