2-chloro-3-fluoro-pyridine-4-carbaldehyde - ≥97% , CAS No.329794-28-7

CAS: 329794-28-7 Cat. No.: C134116 Molecular Weight: 159.55 EC Number: 803-639-0

GRADE & PURITY ≥97%

Synonyms

A5891 | FT-0650268 | AB20966 | J-508655 | AKOS005259208 | MFCD04972388 | SY022336 | PS-8785 | 2-Chloro-3-fluoropyridine-4-carboxaldehye | STL555289 | 2-Chloro-3-fluoropyridine-4-carboxaldehyde | AC-33405 | 2-Chloro-3-fluoro-4-formyl pyridine | EN300-15995

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A5891 | FT-0650268 | AB20966 | J-508655 | AKOS005259208 | MFCD04972388 | SY022336 | PS-8785 | 2-Chloro-3-fluoropyridine-4-carboxaldehye | STL555289 | 2-Chloro-3-fluoropyridine-4-carboxaldehyde | AC-33405 | 2-Chloro-3-fluoro-4-formyl pyridine | EN300-15995

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761719
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761719
• Canonical Smiles: C1=CN=C(C(=C1C=O)F)Cl
• IUPAC Name: 2-chloro-3-fluoropyridine-4-carbaldehyde
• InChIKey: RWSUDYQQHLWWDK-UHFFFAOYSA-N
• INCHI: 1S/C6H3ClFNO/c7-6-5(8)4(3-10)1-2-9-6/h1-3H
• Isomeric SMILES: C1=CN=C(C(=C1C=O)F)Cl
• WGK Germany: 3
• Molecular Weight: 159.55
• Reaxy-Rn: 13904431
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13904431&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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 Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-pyridine carboxaldehyde - Polyhalopyridine - 2-halopyridine - Aryl-aldehyde - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive；heat sensitive
• Refractive Index: 1.543
• Flash Point(°F): 226.4 °F
• Flash Point(°C): 108 °C
• Molecular Weight: 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