3,5-Dichloro-2-methoxypyridine - ≥97% , CAS No.13472-58-7

CAS: 13472-58-7 Cat. No.: D730033 Formula: C₆H₅Cl₂NO Peso molecolare: 178.01 Numero EC: 999-882-6 PubChem CID: 21354187

GRADE & PURITY ≥97%

Synonyms

Pyridine,3,5-dichloro-2-methoxy- | 2-Methoxy-3,5-DichloroPyridine | 3,5-Dichlor-2-methoxy-pyridin

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

Pyridine,3,5-dichloro-2-methoxy- | 2-Methoxy-3,5-DichloroPyridine | 3,5-Dichlor-2-methoxy-pyridin

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

COC1=C(C=C(C=N1)Cl)Cl

IUPAC Name

3,5-dichloro-2-methoxypyridine

InChIKey

XMASGFYUZZRWOE-UHFFFAOYSA-N

INCHI

1S/C6H5Cl2NO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3

Isomeri SMILES

COC1=C(C=C(C=N1)Cl)Cl

PubChem CID

21354187

Peso molecolare

178.01

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Alkyl aryl ether - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 178.010 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.975 Da
• Monoisotopic Mass: 176.975 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 112.000
• 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