6-Chloro-5-methoxynicotinonitrile

Base Information

• Chemical Name: 6-Chloro-5-methoxynicotinonitrile
• CAS No.: 1256835-79-6
• Molecular Formula: C7H5ClN2O
• Molecular Weight: 168.5804
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID901263545
• Mol file: 1256835-79-6.mol

Synonyms:6-Chloro-5-methoxynicotinonitrile;1256835-79-6;6-Chloro-5-methoxypyridine-3-carbonitrile;3-Pyridinecarbonitrile, 6-chloro-5-methoxy-;SCHEMBL21597025;DTXSID901263545;MFCD18071080;DS-6813;CS-0043800;A889988;J-518592

Chemical Property of 6-Chloro-5-methoxynicotinonitrile

Chemical Property:

• Vapor Pressure: 0.0±0.5 mmHg at 25°C
• Boiling Point: 266.7±40.0 °C at 760 mmHg
• PKA: -4.11±0.10(Predicted)
• Flash Point: 115.1±27.3 °C
• PSA: 45.91000
• Density: 1.3±0.1 g/cm3
• LogP: 1.61528
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 168.0090405
• Heavy Atom Count: 11
• Complexity: 177

Purity/Quality:

NLT 98% ^*data from raw suppliers

6-Chloro-5-Methoxynicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(N=CC(=C1)C#N)Cl