Product Name

  • Name

    Isoquinoline-5-sulfonyl chloride

  • EINECS
  • CAS No. 84468-15-5
  • Density 1.483 g/cm3
  • Solubility
  • Melting Point 173-183 °C
  • Formula C9H6ClNO2S
  • Boiling Point 371.2 °C at 760 mmHg
  • Molecular Weight 227.671
  • Flash Point 178.3 °C
  • Transport Information
  • Appearance colourless crystalline solid
  • Safety 26-36/37
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 84468-15-5 (Isoquinoline-5-sulfonyl chloride)
  • Hazard Symbols
  • Synonyms 5-Isoquinolinesulfonylchloride;
  • PSA 55.41000
  • LogP 3.24310

Isoquinoline-5-sulfonyl chloride Specification

The Isoquinoline-5-sulfonyl chloride, with the CAS registry number 84468-15-5, is also known as 5-Isoquinolinesulfonyl chloride. It belongs to the product categories of Sulfonylhalide; Aromatics Compounds; Aromatics; Sulfonyl Chlorides; Sulfur & Selenium Compounds. This chemical's molecular formula is C9H6ClNO2S and molecular weight is 227.67. What's more, its systematic name is called Isoquinoline-5-sulfonyl chloride. It is colourless crystalline solid.

Physical properties about Isoquinoline-5-sulfonyl chloride are: (1) ACD/LogP: 1.73; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 1; (6) Polar Surface Area: 55.41 Å2; (7) Index of Refraction: 1.646; (8) Molar Refractivity: 55.75 cm3; (9) Molar Volume: 153.4 cm3; (10) Surface Tension: 57.5 dyne/cm; (11) Density: 1.483 g/cm3; (12) Flash Point: 178.3 °C; (13) Enthalpy of Vaporization: 59.4 kJ/mol; (14) Boiling Point: 371.2 °C at 760 mmHg; (15) Vapour Pressure: 2.23E-05 mmHg at 25 °C; (16) Melting Point: 173-183 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClS(=O)(=O)c1cccc2c1ccnc2
(2) InChI: InChI=1/C9H6ClNO2S/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
(3) InChIKey: WHIDHHUCCTYJKA-UHFFFAOYAX

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