1-Chloro-2-cyanonaphthalene

Base Information

• Chemical Name: 1-Chloro-2-cyanonaphthalene
• CAS No.: 52449-78-2
• Molecular Formula: C11H6ClN
• Molecular Weight: 187.62500
• DSSTox Substance ID: DTXSID40496726
• Wikidata: Q82345782
• Mol file: 52449-78-2.mol

Synonyms:1-Chloro-2-cyanonaphthalene;52449-78-2;1-Chloronaphthalene-2-carbonitrile;SCHEMBL11556490;DTXSID40496726;FT-0760507

Chemical Property of 1-Chloro-2-cyanonaphthalene

Chemical Property:

• PSA: 23.79000
• LogP: 3.36488
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 187.0188769
• Heavy Atom Count: 13
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

1-Chloro-2-cyanonaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC(=C2Cl)C#N

Technology Process of 1-Chloro-2-cyanonaphthalene

There total 4 articles about 1-Chloro-2-cyanonaphthalene 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:

1-chloro-3,4-dihydronaphthalene-2-carbaldehyde oxime (3262-04-2) → 1-Chlor-[2]naphthonitril (52449-78-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Py / acetic anhydride

2: aq. H₃PO₄, NO4>

With pyridine; nitrosylsulfuric acid; phosphoric acid; In acetic anhydride;

Reference yield:

1-chloro-2-aminonaphthalene (16452-11-2) → 1-Chlor-[2]naphthonitril (52449-78-2)

Guidance literature:

With hydrogenchloride; sodium nitrite; Diazotization_.Eintragen in eine warme, aus Kupfer(II)-sulfat, Kaliumcyanid und Wasser hergestellte Loesung;

DOI:10.1039/jr9620004853

Reference yield:

1-chloro-3,4-dihydronaphthalene-2-carbonitrile (67122-10-5) → 1-Chlor-[2]naphthonitril (52449-78-2)

Guidance literature:

With nitrosylsulfuric acid; phosphoric acid;

upstream raw materials:

1-chloro-2-aminonaphthalene

1-chloro-3,4-dihydronaphthalene-2-carbonitrile

1-chloro-3,4-dihydronaphthalene-2-carbaldehyde oxime

Downstream raw materials:

1-methoxy-[2]naphthonitrile