6-Quinolinecarboxaldehyde - ≥98% , CAS No.4113-04-6

CAS: 4113-04-6 Cat. No.: Q160817 Molecular Weight: 157.17 EC Number: 689-110-3 PubChem CID: 765653

GRADE & PURITY ≥98%

Synonyms

6-quinoline carboxaldehyde | AM20051168 | AC-7403 | 6-FORMYL-1-AZANAPHTHALENE | VUAOIXANWIFYCU-UHFFFAOYSA-N | DTXSID60354177 | 6-FORMYLQUINOLINE | STK346857 | 6-Quinolinecarboxaldehyde | EN300-00995 | quinoline-6-carboxaldehyde | 6-Quinolinecarbaldehyde |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

6-quinoline carboxaldehyde | AM20051168 | AC-7403 | 6-FORMYL-1-AZANAPHTHALENE | VUAOIXANWIFYCU-UHFFFAOYSA-N | DTXSID60354177 | 6-FORMYLQUINOLINE | STK346857 | 6-Quinolinecarboxaldehyde | EN300-00995 | quinoline-6-carboxaldehyde | 6-Quinolinecarbaldehyde |

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 488191447
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191447
• Canonical Smiles: C1=CC2=C(C=CC(=C2)C=O)N=C1
• IUPAC Name: quinoline-6-carbaldehyde
• InChIKey: VUAOIXANWIFYCU-UHFFFAOYSA-N
• INCHI: 1S/C10H7NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7H
• Isomeric SMILES: C1=CC2=C(C=CC(=C2)C=O)N=C1
• PubChem CID: 765653
• Molecular Weight: 157.17
• Reaxy-Rn: 113274

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Aryl-aldehydes Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Aryl-aldehyde - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

• Sensitivity: Air Sensitive
• Boil Point(°C): 314.3°C at 760 mmHg
• Melt Point(°C): 76 °C
• Molecular Weight: 157.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.053 Da
• Monoisotopic Mass: 157.053 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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