4-(1-Pyrrolidinyl)benzaldehyde

Basic Information

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CAS Number

51980-54-2

Molecular Formula

C11H13NO

Molecular Weight

175.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

82.0 to 86.0 deg-C

Boiling Point

329.4℃ at 760 mmHg

Flash Point

134.3℃

Refractive Index

1.599

SMILES

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C1CCN(C1)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C11H13NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,9H,1-2,7-8H2

InChIKey

DATXHLPRESKQJK-UHFFFAOYSA-N

LogP

2.0993

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

167

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Air Sensitive

Synonyms & References

English

F0679
4-(1-Pyrrolidinyl)benzaldehyde
4-Pyrrolidinnobenzaldehyde
AC-2819
4-pyrrolidin-1-ylbenzaldehyde
NS00032393
MFCD00015469
EN300-39417
AKOS000113310
p-pyrrolidinylbenzaldehyde
DTXSID40199942
4-(pyrrolidin-1-yl)benzaldehyde
EINECS 257-570-0
CHEMBL4572394
1-(4-Formylphenyl)pyrrolidine
SY003050
SCHEMBL253732
BB 0217735
STR02263
4-(1-Pyrrolidino)benzaldehyde, 97%
4-pyrrolidinobenzaldehyde
bicyclo[3.2.1]octan-4-one;4-(1-Pyrrolidinyl)benzaldehyde
4-Pyrrolidin-1-yl-benzaldehyde
FT-0616490
CS-W017443
4-pyrrolidinylbenzaldehyde
4H76K4T6QB
J-513854
51980-54-2
4-(1-Pyrrolidino)benzaldehyde
Z57313797

MDL Number

MFCD00015469

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-(1-Pyrrolidinyl)benzaldehyde (CAS: 51980-54-2)?

4-(1-Pyrrolidinyl)benzaldehyde (CAS: 51980-54-2) is a crystalline solid with a molecular weight of approximately 180.24 g/mol. It has a low solubility in water (0.4 g/100 mL at 25°C) but is more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive with bases and nucleophiles, and it undergoes electrophilic substitution reactions easily.

How is 4-(1-Pyrrolidinyl)benzaldehyde (CAS: 51980-54-2) typically synthesized?

4-(1-Pyrrolidinyl)benzaldehyde is typically synthesized through the condensation of benzaldehyde and pyrrolidine in the presence of a strong base like sodium hydride. The reaction is highly selective and provides a good yield, with careful control over temperature and reaction time to avoid overoxidation.

What industries use 4-(1-Pyrrolidinyl)benzaldehyde (CAS: 51980-54-2)?

4-(1-Pyrrolidinyl)benzaldehyde (CAS: 51980-54-2) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the development of advanced materials, and in the sensor industry for the fabrication of gas sensors. It also finds application in the semiconductor industry, particularly in the preparation of organic semiconductor materials.

What precautions should be taken when handling 4-(1-Pyrrolidinyl)benzaldehyde (CAS: 51980-54-2)?

When handling 4-(1-Pyrrolidinyl)benzaldehyde (CAS: 51980-54-2), wear appropriate personal protective equipment (PPE) including gloves and safety goggles. Work in a well-ventilated area or a fume hood to minimize exposure. Avoid contact with skin and eyes. Spills should be cleaned up using appropriate absorbent material, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.