3,5-Dichloropyridine N-oxide - ≥98% , CAS No.15177-57-8

CAS: 15177-57-8 Cat. No.: D167465 Summenformel: C₅H₃Cl₂NO Molekulargewicht: 163.99 EG-Nummer: 625-109-6

GRADE & PURITY ≥98%

Synonyms

3,5-dichloropyridin-1-ium-1-olate | 3,5-DICHLOROPYRIDINE-N-OXIDE | 3,5-Dichloropyridine N-oxide | DTXSID20298508 | AS-35501 | Pyridine,3,5-dichloro-, 1-oxide | 3,5-Dichloropyridine 1-oxide | AC-907/34115036 | 3 5-Dichloropyridine 1-oxide 98 | NSC123596 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

3,5-dichloropyridin-1-ium-1-olate | 3,5-DICHLOROPYRIDINE-N-OXIDE | 3,5-Dichloropyridine N-oxide | DTXSID20298508 | AS-35501 | Pyridine,3,5-dichloro-, 1-oxide | 3,5-Dichloropyridine 1-oxide | AC-907/34115036 | 3 5-Dichloropyridine 1-oxide 98 | NSC123596 |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504758264

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758264

Kanonisches Lächeln

C1=C(C=[N+](C=C1Cl)[O-])Cl

IUPAC Name

3,5-dichloro-1-oxidopyridin-1-ium

InChIKey

RODXBOIDZPQDBH-UHFFFAOYSA-N

INCHI

1S/C5H3Cl2NO/c6-4-1-5(7)3-8(9)2-4/h1-3H

Isomere SMILES

C1=C(C=[N+](C=C1Cl)[O-])Cl

WGK Deutschland

3

Molekulargewicht

163.99

Reaxy-Rn

1617435

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1617435&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: Pyridinium derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Pyridinium - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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

• Schmelzpunkt (°C): 110-113°C
• Molekulargewicht: 163.990 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 162.959 Da
• Monoisotopic Mass: 162.959 Da
• Topological Polar Surface Area: 25.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 91.000
• 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