Anilinoacetonitrile

Basic Information

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CAS Number

3009-97-0

Molecular Formula

C8H8N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

40 ºC

Boiling Point

303.5℃ at 760 mmHg

Refractive Index

1.59

SMILES

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

InChI

InChI=1S/C8H8N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,7H2

InChIKey

KAXCEFLQAYFJKV-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

127

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

XBN69BE6X2
AKOS000253573
ACETONITRILE, 2-(PHENYLAMINO)-
DTXSID80184175
N-Phenylglycinonitrile
CHEMBL1229843
Phenylaminoacetonitril
SCHEMBL197012
N-cyanomethylaniline
A820195
3009-97-0
BRN 2206191
Z56347332
Acetonitrile, anilino- (8CI)
MFCD00044430
W-106957
2-(Phenylamino)acetonitrile
N-Phenylglycinenitrile
Acetonitrile, anilino-
HMS1719B17
N-(Cyanomethyl)aniline
CS-W021451
FT-0634598
Anilinoacetonitrile
Q27452740
NS00002180
Phenylglycine nitrile
NSC 7611
KAXCEFLQAYFJKV-UHFFFAOYSA-N
EN300-16652
NSC-7611

MDL Number

MFCD00044430

Customs Code

2926909090

FAQ

What are the physical and chemical properties of Anilinoacetonitrile (CAS: 3009-97-0)?

Anilinoacetonitrile (CAS: 3009-97-0) is a colorless solid when crystalline, with a molecular weight of approximately 123.14 g/mol. It has a high solubility in organic solvents like dichloromethane and acetone but is only slightly soluble in water. It is moderately reactive, particularly in nucleophilic substitution reactions. It has a melting point of around 50-52°C and a boiling point of approximately 220°C. The compound can undergo hydrolysis under acidic or basic conditions.

How is Anilinoacetonitrile (CAS: 3009-97-0) typically synthesized?

Anilinoacetonitrile (CAS: 3009-97-0) is usually synthesized by reacting aniline with acetonitrile in the presence of a strong base like potassium hydroxide or sodium hydride. The process involves the nucleophilic substitution of the acetyl group on acetonitrile with the amino group from aniline to form the desired compound. The yield is typically around 70-80%, and the reaction is carried out under mild conditions to avoid side reactions.

What industries use Anilinoacetonitrile (CAS: 3009-97-0)?

Anilinoacetonitrile (CAS: 3009-97-0) finds applications in various industries. It is used in the pharmaceutical sector for the synthesis of certain drugs due to its chemical functionality. In the polymer industry, it can be incorporated as a monomer to produce specialized polymers. Additionally, it is utilized in the development of sensors and as a precursor in the semiconductor industry for its unique reactivity and functional groups.

What precautions should be taken when handling Anilinoacetonitrile (CAS: 3009-97-0)?

When handling Anilinoacetonitrile (CAS: 3009-97-0), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure the use of a fume hood during preparation and manipulation to avoid inhalation. Spills should be cleaned up using absorbent materials and discarded according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information. Storage should be in a cool, dry place away from oxidizing agents to prevent unwanted reactions.