6-Chloro-3-fluoropicolinaldehyde - ≥98% , CAS No.884494-77-3

CAS: 884494-77-3 Cat. No.: C195531 Formula: C₆H₃ClFNO Peso molecolare: 159.55 Numero EC: 987-514-7

GRADE & PURITY ≥98%

Synonyms

FT-0724512 | DTXSID90660516 | SCHEMBL20268024 | SY069134 | EN300-2008766 | AKOS006229938 | MFCD04972390 | AC-33386 | AMY7963 | 1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANEBIS(TRIFLUOROMETHANESULFONATE) | 6-CHLORO-3-FLUOROPYRIDINE-2-CARBALDEHYD

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

FT-0724512 | DTXSID90660516 | SCHEMBL20268024 | SY069134 | EN300-2008766 | AKOS006229938 | MFCD04972390 | AC-33386 | AMY7963 | 1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANEBIS(TRIFLUOROMETHANESULFONATE) | 6-CHLORO-3-FLUOROPYRIDINE-2-CARBALDEHYD

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488201090
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201090
• Sorrisi canonici: C1=CC(=NC(=C1F)C=O)Cl
• IUPAC Name: 6-chloro-3-fluoropyridine-2-carbaldehyde
• InChIKey: DXJIVEOKXUIRBT-UHFFFAOYSA-N
• INCHI: 1S/C6H3ClFNO/c7-6-2-1-4(8)5(3-10)9-6/h1-3H
• Isomeri SMILES: C1=CC(=NC(=C1F)C=O)Cl
• Peso molecolare: 159.55
• Reaxy-Rn: 33289144
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33289144&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Polyhalopyridines Aryl-aldehydes 2-halopyridines Aryl fluorides Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyridine carboxaldehyde - Polyhalopyridine - 2-halopyridine - Aryl-aldehyde - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Azacycle - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive.
• Peso molecolare: 159.540 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 158.989 Da
• Monoisotopic Mass: 158.989 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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