1-Chloro-4-hydroxyisoquinoline - ≥97% , CAS No.3336-43-4

CAS: 3336-43-4 Cat. No.: C124730 Summenformel: C₉H₅NClOH Molekulargewicht: 179.6 EG-Nummer: 625-832-7

GRADE & PURITY ≥97%

Synonyms

1-chloro-4-hydroxy isoquinoline | AMY25645 | A5951 | 1-Chloro-4-hydroxyisoquinoline, 97% | 4-Isoquinolinol, 1-chloro- | 1 -chloro-4-hydroxy isoquinoline | JEVLGPVFFYUBRI-UHFFFAOYSA-N | SY104484 | 1-Chloro-4-hydroxyisoquinoline | 1-chloroisoquinolin-4-ol |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

1-chloro-4-hydroxy isoquinoline | AMY25645 | A5951 | 1-Chloro-4-hydroxyisoquinoline, 97% | 4-Isoquinolinol, 1-chloro- | 1 -chloro-4-hydroxy isoquinoline | JEVLGPVFFYUBRI-UHFFFAOYSA-N | SY104484 | 1-Chloro-4-hydroxyisoquinoline | 1-chloroisoquinolin-4-ol |

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504762944

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762944

Kanonisches Lächeln

C1=CC=C2C(=C1)C(=CN=C2Cl)O

IUPAC Name

1-chloroisoquinolin-4-ol

InChIKey

JEVLGPVFFYUBRI-UHFFFAOYSA-N

INCHI

1S/C9H6ClNO/c10-9-7-4-2-1-3-6(7)8(12)5-11-9/h1-5,12H

Isomere SMILES

C1=CC=C2C(=C1)C(=CN=C2Cl)O

WGK Deutschland

3

Molekulargewicht

179.6

Reaxy-Rn

128794

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128794&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Hydroxypyridines 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - 2-halopyridine - Hydroxypyridine - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 184-188°C
• Molekulargewicht: 179.600 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 179.014 Da
• Monoisotopic Mass: 179.014 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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: 1