(4-Pyridylthio)acetyl chloride

Base Information

• Chemical Name: (4-Pyridylthio)acetyl chloride
• CAS No.: 52998-13-7
• Molecular Formula: C7H6ClNOS
• Molecular Weight: 171.6466
• Hs Code.: 2933399090
• European Community (EC) Number: 258-287-5
• UNII: 7K1IV3FNY8
• DSSTox Substance ID: DTXSID80865351
• Nikkaji Number: J295.853H
• Mol file: 52998-13-7.mol

Synonyms:(4-Pyridylthio)acetyl chloride;2-pyridin-4-ylsulfanylacetyl chloride;7K1IV3FNY8;4-Pyridylmercaptoacetyl chloride;acetyl chloride, 2-(4-pyridinylthio)-;UNII-7K1IV3FNY8;SCHEMBL7421131;DTXSID80865351;EINECS 258-287-5;2-(Pyridin-4-ylthio)acetyl chloride;[(Pyridin-4-yl)sulfanyl]acetyl chloride

Chemical Property of (4-Pyridylthio)acetyl chloride

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.59
• Boiling Point: 279.5 °C at 760 mmHg
• PKA: 4.35±0.26(Predicted)
• Flash Point: 122.8 °C
• PSA: 44.98000
• Density: 1.35g/cm³
• LogP: 2.19030
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.9858627
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

2-(Pyridin-4-ylthio)acetylchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1SCC(=O)Cl