Isoquinoline-5-sulfonyl Chloride

Base Information

• Chemical Name: Isoquinoline-5-sulfonyl Chloride
• CAS No.: 84468-15-5
• Molecular Formula: C9H6ClNO2S
• Molecular Weight: 227.671
• Hs Code.: 29334900
• DSSTox Substance ID: DTXSID40391888
• Nikkaji Number: J1.640.173K
• Wikidata: Q72486500
• Mol file: 84468-15-5.mol

Synonyms:Isoquinoline-5-sulfonyl Chloride;84468-15-5;5-Isoquinolinesulfonyl chloride;MFCD00270016;isoquinoline-5-sulfonylchloride hydrochloride;SCHEMBL115053;ISOQUINOLINE IMPURITY 6;5-isoquino-linesulfonyl chloride;5-isoquinoline sulfonyl chloride;DTXSID40391888;isoquinoline -5-sulfonyl chloride;WHIDHHUCCTYJKA-UHFFFAOYSA-N;AMY16309;BCP25373;AKOS009386147;AC-12971;DS-17639;CS-0142053;FT-0602446;EN300-42785;Q-101029

Chemical Property of Isoquinoline-5-sulfonyl Chloride

Chemical Property:

• Appearance/Colour: colourless crystalline solid
• Vapor Pressure: 2.23E-05mmHg at 25°C
• Melting Point: 173-183 °C
• Refractive Index: 1.646
• Boiling Point: 371.2 °C at 760 mmHg
• PKA: 3.09±0.13(Predicted)
• Flash Point: 178.3 °C
• PSA: 55.41000
• Density: 1.483 g/cm³
• LogP: 3.24310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Sparingly, Heated)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 226.9807773
• Heavy Atom Count: 14
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

Isoquinoline-5-sulfonyl chloride, hydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 22-36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)Cl