2-Naphthonitrile

Base Information

• Chemical Name: 2-Naphthonitrile
• CAS No.: 613-46-7
• Molecular Formula: C11H7 N
• Molecular Weight: 153.183
• Hs Code.: 29269090
• European Community (EC) Number: 210-344-5
• NSC Number: 4169
• UNII: DQG8D8B4F6
• DSSTox Substance ID: DTXSID7060621
• Nikkaji Number: J95.584A
• Mol file: 613-46-7.mol

Synonyms:2-naphthalenecarbonitrile

Chemical Property of 2-Naphthonitrile

Chemical Property:

• Appearance/Colour: White crystals
• Vapor Pressure: 0.000691mmHg at 25°C
• Melting Point: 63-68 ºC
• Refractive Index: 1.6210 (estimate)
• Boiling Point: 156-158°C 12mm
• Flash Point: 156-158°C/12mm
• PSA: 23.79000
• Density: 1.13g/cm³
• LogP: 2.71148
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Benzene,Methanol
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 153.057849228
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

2-Naphthonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T;N;Xn
• Hazard Codes: Xn,N,T
• Statements: 20/21/22-51/53-41-37/38-25
• Safety Statements: 36/37-61-45-36/37/39-26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C#N

Technology Process of 2-Naphthonitrile

There total 223 articles about 2-Naphthonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

2-Naphthalenemethanol (1592-38-7) → 2-naphthalenecarbonitrile (613-46-7)

Guidance literature:

With ammonia; oxygen; In tert-Amyl alcohol; water; at 100 ℃; for 4h; under 3750.38 Torr; Autoclave; High pressure;

DOI:10.1021/acscatal.0c00485

Reference yield: 99.0%

β-naphthaldehyde (66-99-9) → 2-naphthalenecarbonitrile (613-46-7)

Guidance literature:

With oxygen; copper; ammonium chloride; In pyridine; at 60 ℃; for 24h;

DOI:10.1055/s-1989-27285

Reference yield: 99.0%

2-naphthaldoxime (51873-98-4,57207-34-8,24091-02-9) → 2-naphthalenecarbonitrile (613-46-7)

Guidance literature:

With triethylamine; ethanaminium,N-(difluoro-λ⁴-sulfanylidene)-N-ethyl-,tetrafluoroborate; In ethyl acetate; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1055/s-0034-1378881

upstream raw materials:

N,N'-di(2-naphthyl)thiourea

ethyl-2-naphthoate

naphthalene-2-sulfonate

potassium cyanide

Downstream raw materials:

naphthalen-2-yl(o-tolyl)methanone

methyl 2-naphthyl ketone

di(naphthalen-2-yl)methanimine

1-(2-naphthyl)-1-propanone