1-(4-Chlorophenyl)-1H-pyrrole

Basic Information

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CAS Number

5044-38-2

Molecular Formula

C10H8ClN

Molecular Weight

177.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

88-91 °C

Boiling Point

200-203 °C (95.2627 mmHg)

Flash Point

113.8±22.6 °C

Refractive Index

1.6000 (estimate)

Vapor Pressure

0.0±0.5 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C10H8ClN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H

InChIKey

LTOQUFIOYDCJFJ-UHFFFAOYSA-N

LogP

3.130700000000001

Topological Polar Surface Area

4.93 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

135

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

Synonyms & References

English

DivK1c_001622
HMS1378M08
Pyrrole, 1-(p-chlorophenyl)-
E89361
1-(4-Chlorophenyl)-1H-pyrrole
EU-0032749
HMS549K10
InChI=1/C10H8ClN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8
CS-0192160
AKOS000285797
NSC-116796
5044-38-2
GEO-00783
AMY25692
1-(4-Chlorophenyl)-1H-pyrrole, 97%
DTXSID50198481
SB62398
A871551
CDS1_000582
FT-0605682
1-(4-Chlorophenyl)-1H-pyrrole #
Maybridge1_002870
1H-Pyrrole, 1-(4-chlorophenyl)-
LTOQUFIOYDCJFJ-UHFFFAOYSA-N
MFCD00047067
W-200393
1-(4-Chlorophenyl)pyrrole
J-660070
NB-178
NSC116796
ChemDiv2_003440

MDL Number

MFCD00047067

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-(4-Chlorophenyl)-1H-pyrrole (CAS: 5044-38-2)?

1-(4-Chlorophenyl)-1H-pyrrole is a crystalline solid with a molecular weight of approximately 182.01 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and ethanol. The compound shows good reactivity towards electrophiles and nucleophiles. It has a pKa of about 3.5, indicating its acidic nature.

How is 1-(4-Chlorophenyl)-1H-pyrrole (CAS: 5044-38-2) typically synthesized?

1-(4-Chlorophenyl)-1H-pyrrole can be synthesized by the condensation of 4-chlorophenyl isocyanide and pyrrole. This reaction typically proceeds in the presence of a base like sodium hydroxide or potassium hydroxide at room temperature. The yield is generally around 70-80%, and the reaction is selective and efficient.

What industries use 1-(4-Chlorophenyl)-1H-pyrrole (CAS: 5044-38-2)?

1-(4-Chlorophenyl)-1H-pyrrole has applications in various industries. It is primarily used in the pharmaceutical industry for the synthesis of drugs, in the polymer industry for the production of functional polymers, and in the semiconductor industry due to its semiconducting properties. Additionally, it is used in the development of sensors for detecting specific chemical compounds.

What precautions should be taken when handling 1-(4-Chlorophenyl)-1H-pyrrole (CAS: 5044-38-2)?

When handling 1-(4-Chlorophenyl)-1H-pyrrole, it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate solvents, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed safety information.