2-(4-Morpholinyl)-5-nitrobenzonitrile

Basic Information

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CAS Number

78252-11-6

Molecular Formula

C11H11N3O3

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Density

1.36±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H11N3O3/c12-8-9-7-10(14(15)16)1-2-11(9)13-3-5-17-6-4-13/h1-2,7H,3-6H2

InChIKey

RWMGFZRJYLSGJW-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

327

Synonyms & References

English

5-nitro-2-morpholinobenzonitrile
RWMGFZRJYLSGJW-UHFFFAOYSA-N
A865067
J-510124
AKOS000321248
2-Morpholino-5-nitrobenzonitrile
2-morpholin-4-yl-5-nitrobenzonitrile
2-(morpholin-4-yl)-5-nitrobenzonitrile
2-Morpholino-5-nitrobenzenecarbonitrile
Z31211415
SCHEMBL2848571
FT-0749937
GA-0706
2-Morpholin-4-yl-5-nitro-benzonitrile
DTXSID90428638
MFCD07670797
78252-11-6
BB 0246141
Benzonitrile, 2-(4-morpholinyl)-5-nitro-

MDL Number

MFCD07670797

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-(4-Morpholinyl)-5-nitrobenzonitrile (CAS: 78252-11-6)?

2-(4-Morpholinyl)-5-nitrobenzonitrile is a crystalline solid with a molecular weight of approximately 246.24 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetonitrile. The compound is known for its chemical stability but can react with reducing agents. It is also hygroscopic and should be stored in a desiccated state.

How is 2-(4-Morpholinyl)-5-nitrobenzonitrile (CAS: 78252-11-6) typically synthesized?

2-(4-Morpholinyl)-5-nitrobenzonitrile can be synthesized by first reacting 5-nitrobenzonitrile with morpholine in the presence of a suitable base such as potassium carbonate. The reaction is typically performed in an organic solvent like dimethylformamide (DMF) at room temperature. The final product can be isolated by crystallization from appropriate solvents.

What industries use 2-(4-Morpholinyl)-5-nitrobenzonitrile (CAS: 78252-11-6)?

2-(4-Morpholinyl)-5-nitrobenzonitrile is primarily used in the pharmaceutical industry as an intermediate for synthesizing various drug molecules. It is also utilized in the polymer industry for the development of advanced materials. Additionally, it finds applications in the sensor and semiconductor industries due to its electronic properties.

What precautions should be taken when handling 2-(4-Morpholinyl)-5-nitrobenzonitrile (CAS: 78252-11-6)?

When handling 2-(4-Morpholinyl)-5-nitrobenzonitrile, it is essential to wear appropriate personal protective equipment (PPE), such as gloves, safety goggles, and a lab coat. The material should be handled in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.