5-Bromo-2-chloro-3-fluoropyridine - ≥98% , CAS No.831203-13-5

CAS: 831203-13-5 Cat. No.: B133607 Molecular Weight: 210.43 EC Number: 672-941-0

GRADE & PURITY ≥98%

Synonyms

Pyridine, 5-bromo-2-chloro-3-fluoro- | AB14161 | DTXSID80376871 | AC-4377 | 5-Bromo-2-chloro-3-fluoropyridine, AldrichCPR | A1-53413 | GS-6904 | 5-Bromo-2-chloro-3-fluoropyridine | 5-BROMO-2-CHLORO-3-FLUORO-PYRIDINE | N-Benzylbenzo[d]isothiazol-3-amine |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Pyridine, 5-bromo-2-chloro-3-fluoro- | AB14161 | DTXSID80376871 | AC-4377 | 5-Bromo-2-chloro-3-fluoropyridine, AldrichCPR | A1-53413 | GS-6904 | 5-Bromo-2-chloro-3-fluoropyridine | 5-BROMO-2-CHLORO-3-FLUORO-PYRIDINE | N-Benzylbenzo[d]isothiazol-3-amine |

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504761737
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761737
• Canonical Smiles: C1=C(C=NC(=C1F)Cl)Br
• IUPAC Name: 5-bromo-2-chloro-3-fluoropyridine
• InChIKey: OEKXUEWGXWCENG-UHFFFAOYSA-N
• INCHI: 1S/C5H2BrClFN/c6-3-1-4(8)5(7)9-2-3/h1-2H
• Isomeric SMILES: C1=C(C=NC(=C1F)Cl)Br
• Molecular Weight: 210.43
• Reaxy-Rn: 11025017
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11025017&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 fluorides Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - 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: Air and heat sensitive
• Melt Point(°C): 52℃
• Molecular Weight: 210.430 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 208.904 Da
• Monoisotopic Mass: 208.904 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