3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile

Basic Information

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CAS Number

23996-12-5

Molecular Formula

C12H11N3

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

107.0 to 111.0 deg-C

Boiling Point

418.3±47.0 °C at 760 mmHg

Density

1.1±0.1 g/cm3

Flash Point

206.8±29.3 °C

Vapor Pressure

0.0±1.0 mmHg at 25°C

SMILES

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C1=CC=C(C=C1)C2=NC=CN2CCC#N

InChI

InChI=1S/C12H11N3/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,9H2

InChIKey

BVYPJEBKDLFIDL-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

237

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AKOS010303923
3-(2-phenylimidazol-1-yl)propanenitrile
MFCD00047047
1H-Imidazole-1-propanenitrile, 2-phenyl-
YAA99612
A817028
FT-0709628
3-(2-Phenyl-1H-imidazol-1-yl) propanenitrile
Z756085734
W-107362
SY041689
SDCCGMLS-0066172.P001
SCHEMBL63262
3-(2-Phenyl-1-imidazolyl)propionitrile
NS00027530
C1964
3-(2-Phenyl-1-imidazolyl)propanenitrile
1-CYANOETHYL-2-PHENYLIMIDAZOLE
AC8073
1-(2-Cyanoethyl)-2-phenylimidazole
3-(2-phenyl-1h-imidazol-1-yl)propanenitrile
2-Phenyl-1H-imidazole-1-propiononitrile
2-(2-phenyl-1H-imidazol-5-yl)propanenitrile
EINECS 245-972-9
DTXSID6066947
23996-12-5
2-phenyl-1H-imidazole-1-propiononitrile
1-(p-Cyanethyl)-2-phenyl-imidazol
1H-Imidazole-1-propanenitrile,2-phenyl
3-(2-phenyl-imidazol-1-yl)-propionitrile
1-Cyanoethyl-2-phenylimidazole

MDL Number

MFCD00047047

Customs Code

2933290090

FAQ

What regulatory guidelines apply to 3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile (CAS: 23996-12-5)?

3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile (CAS: 23996-12-5) must comply with the Globally Harmonized System (GHS) for classification and labeling. In the European Union, it is subject to the REACH regulations, and it may require FDA/EPA registration depending on its intended use. Specific safety data sheets (SDS) should be consulted for detailed handling, storage, and disposal instructions.

Are there alternatives to 3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile (CAS: 23996-12-5) in synthesis?

For synthesizing similar functionalities, you can consider using 2-Phenylimidazol-1-yl propanonitrile analogs. Other alternatives include using isomers or substituting with related nitriles. Common reagents such as imidazoles, nitriles, and phenyl compounds can be used as alternatives in the synthesis process.

What is the market or research trend for 3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile (CAS: 23996-12-5)?

The market for 3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile (CAS: 23996-12-5) is growing in the pharmaceutical and agrochemical sectors due to its potential as a drug candidate. Research trends are focusing on its pharmacological properties, synthesis methods, and environmental impact. Emerging studies are exploring its use in drug discovery and as an agricultural pesticide.

How should waste containing 3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile (CAS: 23996-12-5) be handled?

Waste containing 3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile (CAS: 23996-12-5) should be collected in appropriate containers and disposed of by incineration or professional waste disposal services. Ensure all safety precautions are taken to prevent environmental contamination. Follow local waste management regulations and consult safety data sheets (SDS) for specific disposal instructions.