2,5-Dichloro-4-methoxypyridine - ≥95% , CAS No.1122090-95-2

CAS: 1122090-95-2 Cat. No.: D189716 Formula: C₆H₅Cl₂NO Peso molecolare: 178.02

GRADE & PURITY ≥95%

Synonyms

MFCD13185541 | DTXSID20855711 | PB48678 | AMY7980 | 2,5-Dichloro-4-methoxypyridine | 2,5-dichloro-4-methoxy-pyridine | DS-4522 | AC-33432 | 1122090-95-2 | SY102987 | SCHEMBL1424930 | A894631 | AKOS016008970 | XHZSAGSNTXMQTE-UHFFFAOYSA-N

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

MFCD13185541 | DTXSID20855711 | PB48678 | AMY7980 | 2,5-Dichloro-4-methoxypyridine | 2,5-dichloro-4-methoxy-pyridine | DS-4522 | AC-33432 | 1122090-95-2 | SY102987 | SCHEMBL1424930 | A894631 | AKOS016008970 | XHZSAGSNTXMQTE-UHFFFAOYSA-N

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

COC1=CC(=NC=C1Cl)Cl

IUPAC Name

2,5-dichloro-4-methoxypyridine

InChIKey

XHZSAGSNTXMQTE-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

COC1=CC(=NC=C1Cl)Cl

Peso molecolare

178.02

Reaxy-Rn

18988912

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18988912&ln=

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 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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

• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1122090-95-2, the molecular formula is C6H5Cl2NO, and the molecular weight is 178.02 g/mol. InChIKey XHZSAGSNTXMQTE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.