3-((Methylamino)methyl)benzonitrile

Basic Information

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CAS Number

90389-96-1

Molecular Formula

C9H10N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Physical State

No data available

Melting Point

No data available

Boiling Point

145°C/15mmHg

Density

1.0±0.1 g/cm3

Flash Point

103.4±20.4 °C

Refractive Index

1.5400 to 1.5440

SMILES

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CNCC1=CC(=CC=C1)C#N

InChI

InChI=1S/C9H10N2/c1-11-7-9-4-2-3-8(5-9)6-10/h2-5,11H,7H2,1H3

InChIKey

KBRCDVSFCMVQSN-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

156

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

3-((Methylamino)methyl)benzonitrile
3-(Methylaminomethyl)benzonitrile
3-[(methylamino)methyl]Benzonitrile
3-Cyano-N-methylbenzylamine
3-Methylaminomethyl-benzonitrile
Benzonitrile, 3-((methylamino)methyl)-
Benzonitrile, 3-[(methylamino)methyl]-
3-[(METHYLAMINO)METHYL]-BENZONITRILE
KBRCDVSFCMVQSN-UHFFFAOYSA-N
N-Methyl-N-(3-cyanobenzyl)amine
5045AC
N
3-[(Methylamino)methyl]benzonitrile (ACI)
Z138108940
AC-9497
3-(methylaminomethyl)benzonitrile
MFCD09731650
AKOS000140066
SB75446
M2869
SY110297
CS-0135268
C77059
BS-13432
DTXSID60238125
EN300-32044
90389-96-1
CHEMBL1178171
DB-000173
90389-62-1
3-[(methylamino)methyl]benzonitrile

MDL Number

MFCD09731650

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 3-((Methylamino)methyl)benzonitrile (CAS: 90389-96-1)?

3-((Methylamino)methyl)benzonitrile (CAS: 90389-96-1) is a colorless liquid with a molecular weight of approximately 173.15 g/mol. It has a slight amine-like odor and a melting point of -7°C to -5°C. The compound is soluble in organic solvents like ethanol, acetone, and dimethylformamide. It is only slightly water-soluble. Chemically, it is relatively stable but can react with strong oxidizers or acids to form toxic substances. Its reactivity is moderate and it is often used in organic synthesis.

How is 3-((Methylamino)methyl)benzonitrile (CAS: 90389-96-1) typically synthesized?

3-((Methylamino)methyl)benzonitrile (CAS: 90389-96-1) is typically synthesized by the reaction of methylamine with benzonitrile in the presence of a base such as potassium carbonate or sodium hydroxide. The process involves heating the mixture to promote the nucleophilic substitution reaction. The yield is generally high, and the product can be isolated by simple distillation. This reaction is selective and is often used in pharmaceutical and industrial applications.

What industries use 3-((Methylamino)methyl)benzonitrile (CAS: 90389-96-1)?

3-((Methylamino)methyl)benzonitrile (CAS: 90389-96-1) is used in various industries, including pharmaceuticals for the synthesis of medicinals, polymers for functional materials, and as a precursor in the production of sensors and semiconductors. Its unique properties make it valuable in the development of new materials and drug synthesis.

What precautions should be taken when handling 3-((Methylamino)methyl)benzonitrile (CAS: 90389-96-1)?

When handling 3-((Methylamino)methyl)benzonitrile (CAS: 90389-96-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation. Spills should be immediately neutralized with an appropriate base and cleaned up carefully. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions. This compound is not flammable but can react with strong oxidizers, so keep it away from such materials.