1-(4-Bromophenyl)-1H-pyrrole

Basic Information

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CAS Number

5044-39-3

Molecular Formula

C10H8BrN

Molecular Weight

222.09 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

Physical State

Yellow to Brown Solid

Boiling Point

283°C at 760 mmHg

Density

1.38

Flash Point

124.9°C

Refractive Index

1.605

SMILES

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

InChI

InChI=1S/C10H8BrN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H

InChIKey

IBRSPNWMMJNYMR-UHFFFAOYSA-N

LogP

3.2398000000000016

Topological Polar Surface Area

4.93 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

135

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-(4-bromophenyl)-1H-pyrrole
HMS1367E17
SCHEMBL636960
AO-080/15276001
CS-0042018
NSC116809
MFCD00128296
FT-0682150
10R-0614
DTXSID70297607
Bionet2_001161
SY104045
NSC-116809
5044-39-3
1H-pyrrole, 1-(4-bromophenyl)-
InChI=1/C10H8BrN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8
SR-01000470787-1
SR-01000470787
AKOS000126850
1-(4-Bromo-phenyl)-1H-pyrrole
SB62090
IBRSPNWMMJNYMR-UHFFFAOYSA-N
1-(4-bromo phenyl)-1h-pyrrole
ZINC00177191
1-(4-bromophenyl)pyrrole
1H-Pyrrole,1-(4-bromophenyl)-
1-(4-Bromophenyl)pyrrole
1-(4-BROMO-PHENYL)-1H-PYRROLE
(4-bromophenyl)pyrrole
1-(p-Bromophenyl)pyrrole
STK197428

MDL Number

MFCD00128296

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-(4-Bromophenyl)-1H-pyrrole (CAS: 5044-39-3)?

1-(4-Bromophenyl)-1H-pyrrole (CAS: 5044-39-3) is a crystalline compound with a molecular weight of 229.01 g/mol. It has poor water solubility but is soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, showing electrophilic aromatic substitution properties. It is used in various applications due to its stability and reactivity.

How is 1-(4-Bromophenyl)-1H-pyrrole (CAS: 5044-39-3) typically synthesized?

1-(4-Bromophenyl)-1H-pyrrole (CAS: 5044-39-3) is synthesized via a Claisen condensation reaction between 4-bromobenzaldehyde and pyrrole. Common solvents include methanol, and the reaction is typically carried out at room temperature. The yield is around 70-80%, with high selectivity towards the desired product.

What industries use 1-(4-Bromophenyl)-1H-pyrrole (CAS: 5044-39-3)?

1-(4-Bromophenyl)-1H-pyrrole (CAS: 5044-39-3) finds application in pharmaceuticals, particularly in the synthesis of antiviral drugs, and as a precursor in polymer and semiconductor industries. It is also used in the development of sensors due to its chemical reactivity.

What precautions should be taken when handling 1-(4-Bromophenyl)-1H-pyrrole (CAS: 5044-39-3)?

When handling 1-(4-Bromophenyl)-1H-pyrrole (CAS: 5044-39-3), ensure the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store in a fume hood to minimize inhalation risk. In case of spill, avoid direct contact and clean up using appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.