6-Methoxy-1-naphthonitrile

Basic Information

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CAS Number

77029-01-7

Molecular Formula

C12H9NO

Molecular Weight

172.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

SMILES

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COC1=CC2=C(C=C1)C(=CC=C2)C#N

InChI

InChI=1S/C12H9NO/c1-14-11-5-6-12-9(7-11)3-2-4-10(12)8-13/h2-7H,1H3

InChIKey

PGQFNNJLLVRLLW-UHFFFAOYSA-N

LogP

3.1568200000000015

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

242

Synonyms & References

English

MFCD07779502
1-Cyano-6-methoxynaphthalene
77029-01-7
DTXSID90227840
SB38675
FT-0739428
6-methoxynaphthalene-1-carbonitrile
CS-0331104
CHEBI:156506
6-methoxy-1-naphthalenecarbonitrile
5-Cyano-2-methoxynaphthalene
6-methoxy-1-naphthonitrile
AKOS006286865
SCHEMBL8583508
1-Naphthalenecarbonitrile, 6-methoxy-
6-Methoxy-naphthalene-1-carbonitrile
1-Naphthalenecarbonitrile,6-methoxy-
1-Naphthalenecarbonitrile,6-methoxy
6-methoxy-1-cyanonaphtalene
6-methoxy-1-cyanonaphthalene

MDL Number

MFCD07779502

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 6-Methoxy-1-naphthonitrile (CAS: 77029-01-7)?

6-Methoxy-1-naphthonitrile is a crystalline solid with a molecular weight of approximately 161.13 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Reactivity is moderate, and it can undergo electrophilic aromatic substitution reactions. It is also prone to hydrolysis under basic conditions.

How is 6-Methoxy-1-naphthonitrile (CAS: 77029-01-7) typically synthesized?

6-Methoxy-1-naphthonitrile can be synthesized via the nitrilation of 1-methoxy-2-naphthol using sodium nitrite and sulfuric acid as the nitrating agent. The reaction is carried out under acidic conditions, and the product is obtained with a good yield. This method provides high selectivity and good regiochemical control.

What industries use 6-Methoxy-1-naphthonitrile (CAS: 77029-01-7)?

6-Methoxy-1-naphthonitrile is primarily used in the pharmaceutical industry for the synthesis of certain organic compounds. It also finds applications in the polymer industry as a precursor for the production of polymeric materials with specific properties. Additionally, it is utilized in the development of sensors and semiconductors due to its unique chemical and physical properties.

What precautions should be taken when handling 6-Methoxy-1-naphthonitrile (CAS: 77029-01-7)?

When handling 6-Methoxy-1-naphthonitrile, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, immediately clean it up with appropriate absorbent materials and follow the safety data sheet (SDS) guidelines for disposal. Handling should be done with care to avoid skin contact and ingestion.