Isoquinoline-5-sulphonyl chloride, HCl - ≥95% , CAS No.105627-79-0

CAS: 105627-79-0 Cat. No.: I179054 Molecular Weight: 264.1 EC Number: 818-961-7 PubChem CID: 13116932

GRADE & PURITY ≥95%

Synonyms

5-isoquinolinesulfonyl chloride.HCl | EN300-42641 | isoquinoline-5-sulfonylchloride hydrochloride | SY042836 | 5-isoquinolinesulfonyl chloride hydrochloride | AC-8863 | BL003874 | MFCD00270016 | AS-19483 | 5-Isoquinolinesulfonylchloride, hydrochloride (1:

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

5-isoquinolinesulfonyl chloride.HCl | EN300-42641 | isoquinoline-5-sulfonylchloride hydrochloride | SY042836 | 5-isoquinolinesulfonyl chloride hydrochloride | AC-8863 | BL003874 | MFCD00270016 | AS-19483 | 5-Isoquinolinesulfonylchloride, hydrochloride (1:

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)Cl.Cl
• IUPAC Name: isoquinoline-5-sulfonyl chloride;hydrochloride
• InChIKey: GZQNTWHQJJVIAK-UHFFFAOYSA-N
• INCHI: 1S/C9H6ClNO2S.ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-6H;1H
• Isomeric SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)Cl.Cl
• PubChem CID: 13116932
• Molecular Weight: 264.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Pyridinium derivatives Benzenoids Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Pyridine - Pyridinium - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Heteroaromatic compound - Azacycle - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic chloride salt - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 264.130 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 262.957 Da
• Monoisotopic Mass: 262.957 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 298.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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