Basic information
- CAS
77029-01-7- Standard SMILES
COc1ccc2c(C#N)cccc2c1- InChIKey
PGQFNNJLLVRLLW-UHFFFAOYSA-N- Molecular formula
- C12H9NO
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.06841391
Overview
6-methoxynaphthalene-1-carbonitrile is a member of the class of naphthalenes that is naphthalene in which the hydrogens at positions 1 and 6 are replaced by cyano and methoxy groups, respectively. It is a nitrile, a member of naphthalenes and an aromatic ether.
Names & identifiers
- Preferred name
- 1-Cyano-6-methoxynaphthalene
- IUPAC
- 6-methoxynaphthalene-1-carbonitrile
- English name
- 1-CYANO-6-METHOXYNAPHTHALENE
- Molecular formula
- C12H9NO
- Molecular weight
- 183.21
Names & synonyms
77029-01-71-Cyano-6-methoxynaphthalene6-methoxynaphthalene-1-carbonitrile6-methoxy-1-naphthonitrile6-Methoxy-naphthalene-1-carbonitrile1-Naphthalenecarbonitrile, 6-methoxy-MFCD077795021-Naphthalenecarbonitrile,6-methoxy-5-Cyano-2-methoxynaphthaleneSCHEMBL8583508SCHEMBL9939717DTXSID90227840
Show more names
6-Methoxy-phthalene-1-carbonitrile1-Naphthalenecarbonitrile,6-methoxy
CHEBI:1565066-methoxy-1-naphthalenecarbonitrileAKOS006286865SB38675DA-36949CS-0331104
Database identifiers
- CAS
77029-01-7- PubChem CID
- 186953
- DTXSID
DTXSID90227840- ChEBI
CHEBI:156506- Nikkaji
- J586.172A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 79 °C · 79 °C
- Boiling point
- 348.2 · 348.2±15.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
Uses1-Cyano-6-methoxynaphthalene is used as a reactant in the preparation of ferrocenyl selenazoles and diferrocenylselenadiazole as antibacterial agents.
Upstream & downstream products
Downstream products
Suppliers8 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
凯诺医药技术有限公司+86-18921203887 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
上海智乾生物科技有限公司[email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Additional notes
DefinitionChEBI: 6-methoxynaphthalene-1-carbonitrile is a member of the class of naphthalenes that is naphthalene in which the hydrogens at positions 1 and 6 are replaced by cyano and methoxy groups, respectively. It is a member of naphthalenes, an aromatic ether and a nitrile.
Related reactions
1 records
Compound notes
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