Propanenitrile, 3-[(2-chlorophenyl)amino]-

Basic Information

View in Editor

CAS Number

94-89-3

Molecular Formula

C9H9ClN2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

View in Editor

C1=CC=C(C(=C1)NCCC#N)Cl

InChI

InChI=1S/C9H9ClN2/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,12H,3,7H2

InChIKey

WZAUNZSICROOPY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

173

Synonyms & References

English

3-((2-Chlorophenyl)amino)propanenitrile
3-(2-chloroanilino)propanenitrile
3-[(2-CHLOROPHENYL)AMINO] PROPANENITRILE
Propionitrile,3-(o-chloroanilino)- (6CI,8CI)
3-(2-Chlorophenylamino)propanenitrile
3-(o-Chloranilino)propionitrile
3-[(2-Chlorophenyl)amino]propanenitrile (ACI)
Propionitrile, 3-(o-chloroanilino)- (6CI, 8CI)
Propanenitrile, 3-((2-chlorophenyl)amino)-
2-(methylamino)-N'-(p-tolylsulfonyl)benzohydrazide
CS-0116642
3-(o-chloroanilino)propionitrile
3-(o-Chloroanilino)propiononitrile
AS-64314
B-(O-Chloroanilino)propionitrile
3-(2-chlorophenylamino)propanenitrile
AKOS002663210
3-(o-Chlorophenylamino)propiononitrile;2-Chloro-n-(2-cyanoethyl)-aniline
3-[(2-chlorophenyl)amino]-propionitrile
WZAUNZSICROOPY-UHFFFAOYSA-N
DTXSID5059111
94-89-3
D95759
NS00040424
MFCD00045636
SCHEMBL6966695
3-[(2-Chlorophenyl)amino]propanenitrile
EINECS 202-373-7
W-100179
Propanenitrile, 3-[(2-chlorophenyl)amino]-

MDL Number

MFCD00045636

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 3-[(2-chlorophenyl)amino]-propanenitrile (CAS: 94-89-3)?

3-[(2-chlorophenyl)amino]-propanenitrile is a colorless to slightly yellow liquid with a molecular weight of approximately 215.67 g/mol. It has a high boiling point around 195°C and a low solubility in water (less than 1 g/L). The compound is moderately reactive, showing limited reactivity towards strong bases and nucleophiles. It is not known to be a strong acid or base, but it can undergo nucleophilic substitution reactions.

How is 3-[(2-chlorophenyl)amino]-propanenitrile (CAS: 94-89-3) typically synthesized?

3-[(2-Chlorophenyl)amino]-propanenitrile is typically synthesized by the amination of 3-chloropropanenitrile with 2-chloroaniline. The reaction is catalyzed by a strong base such as potassium hydroxide. The process involves heating the mixture to promote the nucleophilic substitution reaction, leading to high selectivity and yield. The product is then purified by techniques such as recrystallization or distillation.

What industries use 3-[(2-chlorophenyl)amino]-propanenitrile (CAS: 94-89-3)?

3-[(2-Chlorophenyl)amino]-propanenitrile is used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It is also utilized in the polymer industry as a precursor for preparing various functional polymers. Additionally, it plays a role in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-[(2-chlorophenyl)amino]-propanenitrile (CAS: 94-89-3)?

When handling 3-[(2-Chlorophenyl)amino]-propanenitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure to fumes. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly cleaned. Always refer to the safety data sheet (SDS) for detailed safety information and guidelines.