5-Chloro-3-fluoropicolinaldehyde - ≥98% , CAS No.214055-11-5

CAS: 214055-11-5 Cat. No.: C588124 Summenformel: C₆H₃NOFCl Molekulargewicht: 159.55 EG-Nummer: 812-250-5

GRADE & PURITY ≥98%

Synonyms

SY074157 | EN300-316351 | MFCD16606534 | AMY17263 | AS-45783 | AB70957 | A904779 | 5-CHLORO-3-FLUOROPICOLINALDEHYDE | Z1255405186 | DTXSID70617240 | 5-Chloro-3-fluoro-pyridine-2-carbaldehyde | 5-CHLORO-3-FLUOROPYRIDINE-2-CARBALDEHYDE | BL010222 | SCHEMBL7

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

SY074157 | EN300-316351 | MFCD16606534 | AMY17263 | AS-45783 | AB70957 | A904779 | 5-CHLORO-3-FLUOROPICOLINALDEHYDE | Z1255405186 | DTXSID70617240 | 5-Chloro-3-fluoro-pyridine-2-carbaldehyde | 5-CHLORO-3-FLUOROPYRIDINE-2-CARBALDEHYDE | BL010222 | SCHEMBL7

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

5-chloro-3-fluoropyridine-2-carbaldehyde

InChIKey

GWQJFCXJMHRJMN-UHFFFAOYSA-N

INCHI

1S/C6H3ClFNO/c7-4-1-5(8)6(3-10)9-2-4/h1-3H

Isomere SMILES

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

Alternative CAS-Nummer

214055-11-5

Molekulargewicht

159.55

Reaxy-Rn

13742451

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13742451&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: Polyhalopyridines Aryl-aldehydes 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 - 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
• 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

• Molekulargewicht: 159.540 g/mol
• XLogP3: 1.400
• 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