3-Methoxy-4-nitrobenzonitrile

Basic Information

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CAS Number

177476-75-4

Molecular Formula

C8H6N2O3

Molecular Weight

178.14 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

125-126°

SMILES

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COC1=C(C=CC(=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O3/c1-13-8-4-6(5-9)2-3-7(8)10(11)12/h2-4H,1H3

InChIKey

LCBUSDDLYBHQFA-UHFFFAOYSA-N

LogP

1.99828

Complexity

240

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

CS-0172549
A812263
MFCD11977368
EN300-136596
3-methoxy-4-nitro-benzonitrile
SCHEMBL224136
DTXSID80447611
3-(Methyloxy)-4-nitrobenzonitrile
AKOS005071889
BD-0733
FT-0752352
Benzonitrile, 3-methoxy-4-nitro-
3-Methoxy-4-nitrobenzonitrile
LCBUSDDLYBHQFA-UHFFFAOYSA-N
J-512764
SY152636
3-Methoxy-4-nitrobenzenecarbonitrile
177476-75-4
3-METHOXY-4-NITRO-BENZONITRILE
3-methoxy-4-nitrobenzoinitrile
4-Cyano-2-methoxynitrobenzene
5-Cyano-2-nitroanisole
methoxynitrobenzenecarbonitrile
5-Cyano-2-nitroanisole, 4-Cyano-2-methoxynitrobenzene

MDL Number

MFCD11977368

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4)?

3-Methoxy-4-nitrobenzonitrile is a crystalline solid with a molecular weight of approximately 217.14 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, showing electrophilic aromatic substitution reactivity. It exists as a crystalline solid at room temperature and has a melting point of around 125-126°C.

How is 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4) typically synthesized?

3-Methoxy-4-nitrobenzonitrile can be synthesized via the nitration of 3-methoxybenzonitrile followed by purification. The nitration step is typically carried out with nitric acid and sulfuric acid as the nitration agent. The product is then isolated and purified using recrystallization or column chromatography.

What industries use 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4)?

3-Methoxy-4-nitrobenzonitrile is used in various industries, including pharmaceuticals for the synthesis of certain compounds, and in the development of sensors and semiconductors. It can also be used in the preparation of dyes and pigments.

What precautions should be taken when handling 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4)?

When handling 3-Methoxy-4-nitrobenzonitrile, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up with caution, and proper safety data sheets (SDS) should be consulted for detailed procedures. Avoid contact with skin and eyes, and dispose of waste materials according to local regulations.