2-chloro-5-(trifluoromethyl)-4-iodopyridine - technical grade, ≥90% , CAS No.505084-55-9

CAS: 505084-55-9 Cat. No.: C124047 Molecular Weight: 307.44 EC Number: 808-025-6

GRADE & PURITY Technical grade, ≥90%

Synonyms

2-Chloro-4-iodo-5-trifluoromethyl-pyridine | AC-5748 | J-508796 | AM20061264 | DTXSID40378715 | SY018000 | BCP11605 | PS-7096 | Pyridine, 2-chloro-4-iodo-5-(trifluoromethyl)- | AKOS005063880 | PB12965 | SCHEMBL432680 | 4-PENTENYLPYRIDINE | EN300-75470 | C

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Chloro-4-iodo-5-trifluoromethyl-pyridine | AC-5748 | J-508796 | AM20061264 | DTXSID40378715 | SY018000 | BCP11605 | PS-7096 | Pyridine, 2-chloro-4-iodo-5-(trifluoromethyl)- | AKOS005063880 | PB12965 | SCHEMBL432680 | 4-PENTENYLPYRIDINE | EN300-75470 | C

Specifications & Purity

technical grade, ≥90%

Storage

Room temperature

Shipped In

Normal

Grade

Technical grade

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 488193543
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193543
• Canonical Smiles: C1=C(C(=CN=C1Cl)C(F)(F)F)I
• IUPAC Name: 2-chloro-4-iodo-5-(trifluoromethyl)pyridine
• InChIKey: XEEQBBXEZSNIQV-UHFFFAOYSA-N
• INCHI: 1S/C6H2ClF3IN/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H
• Isomeric SMILES: C1=C(C(=CN=C1Cl)C(F)(F)F)I
• Molecular Weight: 307.44
• Reaxy-Rn: 9192770
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9192770&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl iodides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Aryl iodide - Heteroaromatic compound - Azacycle - Alkyl fluoride - Organonitrogen compound - Organoiodide - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive
• Melt Point(°C): 128 °C
• Molecular Weight: 307.440 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 306.887 Da
• Monoisotopic Mass: 306.887 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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