4-[(2-Cyanoethyl)methylamino]benzaldehyde

Basic Information

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CAS Number

94-21-3

Molecular Formula

C11H12N2O

Molecular Weight

188.23 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

70-74 °C

Boiling Point

387.1 °C at 760 mmHg

Density

1.137

Flash Point

187.9 °C

Refractive Index

1.598

SMILES

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CN(CCC#N)C1=CC=C(C=C1)C=O

InChI

InChI=1S/C11H12N2O/c1-13(8-2-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,8H2,1H3

InChIKey

DNRTTXXWWAKULZ-UHFFFAOYSA-N

LogP

1.84898

Complexity

223

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-((4-Formylphenyl)(methyl)amino)propanenitrile
N-methyl-N-cyanoethyl-4-amino benzaldehyde
3-(4-formyl-N-methylanilino)propanenitrile
4-[(2-cyanoethyl)methylamino]benzaldehyde
3-[(4-Formylphenyl)methylamino]propiononitrile
3-[(4-Formylphenyl)methylamino]propanenitrile (ACI)
Benzaldehyde, p-[(2-cyanoethyl)methylamino]- (6CI, 7CI)
Propionitrile, 3-(p-formyl-N-methylanilino)- (8CI)
4-(N-Methyl-N-(2-cyanoethyl)amino)benzaldehyde
4-(N-Methyl-N-(cyanoethyl)amino)benzaldehyde
4-[(2-Cyanoethyl)methylamino]benzaldehyde
4-Cyanoethylmethylaminobenzaldehyde
N-Methyl-N-(2-cyanoethyl)-4-aminobenzaldehyde
3-[(4-formylphenyl)(methyl)amino]propanenitrile
W-109349
Z104483558
NCGC00184560-03
DTXSID80861691
EINECS 202-315-0
4-((2-Cyanoethyl)methylamino)benzaldehyde
4-formyl-N-methyl-N-2-cyanoethylaniline
N-Methyl-N-cyanoethyl-p-amino benzaldehyde
EN300-20845
MFCD00021067
N-Methyl-N-cyanoethyl-p-aminobenzaldehyde
Propanenitrile, 3-[(4-formylphenyl)methylamino]-
Propanenitrile, 3-((4-formylphenyl)methylamino)-
3-((4-Formylphenyl)methylamino)propiononitrile
3-((4-formylphenyl)(methyl)amino)-propanenitrile
3-[(4-Formylphenyl)(Methyl)Amino]Propanenitrile
94-21-3

MDL Number

MFCD00021067

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-[(2-Cyanoethyl)methylamino]benzaldehyde (CAS: 94-21-3)?

4-[(2-Cyanoethyl)methylamino]benzaldehyde (CAS: 94-21-3) is a crystalline solid with a molecular weight of approximately 242.21 g/mol. It has a pKa of 9.3 and solubility in water of 0.03 g/L at 25°C. This compound is moderately reactive, especially under acidic conditions, and can undergo electrophilic aromatic substitution reactions.

How is 4-[(2-Cyanoethyl)methylamino]benzaldehyde (CAS: 94-21-3) typically synthesized?

4-[(2-Cyanoethyl)methylamino]benzaldehyde (CAS: 94-21-3) can be synthesized via the condensation of 2-cyanoethyl methyl amine with benzaldehyde using an acidic catalyst like hydrochloric acid. The yield is around 75%, and the method yields a highly pure product with excellent selectivity.

What industries use 4-[(2-Cyanoethyl)methylamino]benzaldehyde (CAS: 94-21-3)?

4-[(2-Cyanoethyl)methylamino]benzaldehyde (CAS: 94-21-3) is primarily used in the pharmaceutical industry as a precursor for drug synthesis. It also finds applications in the chemical industry for the production of dyes and pigments, as well as in the analytical field for its use as an analytical reagent.

What precautions should be taken when handling 4-[(2-Cyanoethyl)methylamino]benzaldehyde (CAS: 94-21-3)?

Proper personal protective equipment (PPE) should be worn when handling 4-[(2-Cyanoethyl)methylamino]benzaldehyde (CAS: 94-21-3), including gloves, goggles, and lab coat. Store in a cool, well-ventilated area away from heat sources. Use in a fume hood to minimize exposure. In case of spill, neutralize with a base and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.