6-FORMYL-2-(METHYLSULFANYL)NICOTINONITRILE

Base Information

• Chemical Name: 6-FORMYL-2-(METHYLSULFANYL)NICOTINONITRILE
• CAS No.: 175277-27-7
• Molecular Formula: C₈H₆N₂OS
• Molecular Weight: 178.214
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80384077
• Wikidata: Q72458626
• Mol file: 175277-27-7.mol

Synonyms:6-Formyl-2-(methylsulfanyl)pyridine-3-carbonitrile;6-Formyl-2-(methylthio)-3-pyridinecarbonitrile;6-Formyl-2-(methylthio)nicotinonitrile;

Chemical Property of 6-FORMYL-2-(METHYLSULFANYL)NICOTINONITRILE

Chemical Property:

• Vapor Pressure: 8.9E-05mmHg at 25°C
• Melting Point: 140 °C
• Refractive Index: 1.6
• Boiling Point: 339.9 °C at 760 mmHg
• Flash Point: 159.4 °C
• PSA: 79.05000
• Density: 1.3g/cm³
• LogP: 1.48768
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 178.02008399
• Heavy Atom Count: 12
• Complexity: 210

Purity/Quality:

98% ^*data from raw suppliers

6-Formyl-2-(methylsulfanyl)nicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn
• Statements: 22-37/38-41-43
• Safety Statements: 26-36/37-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C=CC(=N1)C=O)C#N

Technology Process of 6-FORMYL-2-(METHYLSULFANYL)NICOTINONITRILE

There total 1 articles about 6-FORMYL-2-(METHYLSULFANYL)NICOTINONITRILE 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:

C10H12N2O2S (175277-24-4) → 6-formyl-2-(methylthio)nicotinonitrile (175277-27-7)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In water; acetonitrile;

DOI:10.1016/j.bmcl.2012.03.067

Reference yield:

6-formyl-2-(methylthio)nicotinonitrile (175277-27-7) + 2-(4-bromo-2,6-dimethyl-phenyl)-3-methoxy-cyclopent-2-en-1-one (1203555-00-3) → C22H21BrN2O3S (1439558-74-3)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃;

upstream raw materials:

C₁₀H₁₂N₂O₂S

Downstream raw materials:

C₂₂H₂₁BrN₂O₃S

Refernces