2-Chloro-3-fluoro-4-iodopyridine - ≥98% , CAS No.148639-07-0

CAS: 148639-07-0 Cat. No.: C191032 Summenformel: C₅H₂ClFIN Molekulargewicht: 257.43 EG-Nummer: 821-637-8

GRADE & PURITY ≥98%

Synonyms

BBL104034 | AKOS005259352 | C3375 | FT-0650031 | MFCD04972389 | Pyridine, 2-chloro-3-fluoro-4-iodo- | DS-1498 | AM62433 | SY022337 | DTXSID40453955 | J-508644 | STL557848 | GONULLRFSHKLBS-UHFFFAOYSA-N | SCHEMBL792915 | AC-33397 | 2-Chloro-3-fluoro-4-iodop

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BBL104034 | AKOS005259352 | C3375 | FT-0650031 | MFCD04972389 | Pyridine, 2-chloro-3-fluoro-4-iodo- | DS-1498 | AM62433 | SY022337 | DTXSID40453955 | J-508644 | STL557848 | GONULLRFSHKLBS-UHFFFAOYSA-N | SCHEMBL792915 | AC-33397 | 2-Chloro-3-fluoro-4-iodop

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488197119
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197119
• Kanonisches Lächeln: C1=CN=C(C(=C1I)F)Cl
• IUPAC Name: 2-chloro-3-fluoro-4-iodopyridine
• InChIKey: GONULLRFSHKLBS-UHFFFAOYSA-N
• INCHI: 1S/C5H2ClFIN/c6-5-4(7)3(8)1-2-9-5/h1-2H
• Isomere SMILES: C1=CN=C(C(=C1I)F)Cl
• Molekulargewicht: 257.43
• Reaxy-Rn: 5862293
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5862293&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl iodides Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Aryl iodide - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organoiodide - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 95-99℃
• Molekulargewicht: 257.430 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 256.89 Da
• Monoisotopic Mass: 256.89 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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