4-(1H-Pyrrol-1-yl)benzonitrile

Basic Information

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CAS Number

23351-07-7

Molecular Formula

C11H8N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

103-105 °C

Boiling Point

312.8°C at 760 mmHg

SMILES

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C1=CN(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C11H8N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H

InChIKey

OKVSZRKKRHNDOL-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

201

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID70177915
YAA35107
BENZONITRILE, P-PYRROL-1-YL-
FT-0682158
Benzonitrile, 4-(pyrrol-1-yl)-
CS-0199949
379R1YD2SG
N-(4-Cyanophenyl)pyrrole
4-pyrrol-1-ylbenzonitrile
Maybridge1_001756
HMS546H18
AKOS000285845
NSC116795
UNII-379R1YD2SG
Benzonitrile, 4-(1H-pyrrol-1-yl)-
MFCD00085164
NSC 116795
4-(N-PYRROLO)BENZONITRILE
23351-07-7
W-206824
1-(4-cyanophenyl)-pyrrole
1-(4-Cyanophenyl)pyrrole
SB62491
4-(1H-Pyrrol-1-yl)benzonitrile
4-(1H-pyrrol-1-yl)benzonitrile, AldrichCPR
NSC-116795
1-(P-CYANOPHENYL)PYRROLE
4-(pyrrol-1-yl)benzonitrile
MS-3208
4-(1-pyrrolyl)benzonitrile
SCHEMBL2236983

MDL Number

MFCD00085164

Customs Code

2933990090

FAQ

What is 4-(1H-Pyrrol-1-yl)benzonitrile (CAS: 23351-07-7)?

4-(1H-Pyrrol-1-yl)benzonitrile (CAS: 23351-07-7) is an organic compound with the molecular formula C11H11N2O. It is a colorless solid with a distinctive odor. This compound is used in various industries such as pharmaceuticals and organic synthesis. It is also known for its use as a precursor in the production of other chemical intermediates.

What are the main uses of 4-(1H-Pyrrol-1-yl)benzonitrile (CAS: 23351-07-7)?

4-(1H-Pyrrol-1-yl)benzonitrile (CAS: 23351-07-7) is primarily used as a chemical intermediate in the pharmaceutical industry for the synthesis of certain drugs. It is also used in organic synthesis and as a reagent in the production of dyes and pigments. Additionally, it finds application in the synthesis of other organic compounds.

Is 4-(1H-Pyrrol-1-yl)benzonitrile (CAS: 23351-07-7) safe?

4-(1H-Pyrrol-1-yl)benzonitrile (CAS: 23351-07-7) is generally safe when handled with proper precautions. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment such as gloves and goggles. It should be stored in a cool, dry place away from direct sunlight and flammable materials.

How should 4-(1H-Pyrrol-1-yl)benzonitrile (CAS: 23351-07-7) be stored?

4-(1H-Pyrrol-1-yl)benzonitrile (CAS: 23351-07-7) should be stored in a cool, dry place, preferably at room temperature, to maintain its stability. It should be kept away from direct sunlight and heat sources. The container should be airtight and made of suitable materials to prevent degradation. It is advisable to store it in a shaded area to avoid photodegradation.