5-Fluoropicolinaldehyde - ≥98% , CAS No.31181-88-1

CAS: 31181-88-1 Cat. No.: F192662 Summenformel: C₆H₄FNO Molekulargewicht: 125.10 EG-Nummer: 689-832-9

GRADE & PURITY ≥98%

Synonyms

AB42648 | Z1201624239 | SY015686 | 2-Pyridinecarboxaldehyde,5-fluoro | AC-33349 | DTXSID50438450 | IACCXWQKIQUVFQ-UHFFFAOYSA-N | 5-fluoro-2-formylpyridine, AldrichCPR | 5-fluoro-2-pyridine carbaldehyde | BCP10413 | 5-Fluoro-2-formylpyridine | PS-9207 | 5-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

AB42648 | Z1201624239 | SY015686 | 2-Pyridinecarboxaldehyde,5-fluoro | AC-33349 | DTXSID50438450 | IACCXWQKIQUVFQ-UHFFFAOYSA-N | 5-fluoro-2-formylpyridine, AldrichCPR | 5-fluoro-2-pyridine carbaldehyde | BCP10413 | 5-Fluoro-2-formylpyridine | PS-9207 | 5-

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809861

Kanonisches Lächeln

C1=CC(=NC=C1F)C=O

IUPAC Name

5-fluoropyridine-2-carbaldehyde

InChIKey

IACCXWQKIQUVFQ-UHFFFAOYSA-N

INCHI

1S/C6H4FNO/c7-5-1-2-6(4-9)8-3-5/h1-4H

Isomere SMILES

C1=CC(=NC=C1F)C=O

Molekulargewicht

125.10

Reaxy-Rn

1446579

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446579&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Aryl-aldehydes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyridine carboxaldehyde - Aryl-aldehyde - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group.
• 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

• Empfindlichkeit: Heat sensitive；Air sensitive
• Flammpunkt (°C): 59 °C
• Schmelzpunkt (°C): 33 °C
• Molekulargewicht: 125.100 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 125.028 Da
• Monoisotopic Mass: 125.028 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 107.000
• 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