2-Chloro-6-methoxypyrazine - ≥98% , CAS No.33332-30-8

CAS: 33332-30-8 Cat. No.: C192788 Fórmula: C₅H₅ClN₂O Peso molecular: 144.56 Número CE: 863-338-5

GRAU & PUREZA ≥98%

Synonyms

MFCD06410937 | PB29367 | EN300-77620 | FT-0647065 | J-508956 | AM20070433 | BBL103962 | 2-Chloro-6-methoxypyrazine | 2-chloro-6-methoxy-pyrazine | P10361 | PYRAZINE, 2-CHLORO-6-METHOXY- | XWSSFRJLOZQOCX-UHFFFAOYSA-N | DS-11030 | 2-Methoxy-6-chloropyrazine

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

MFCD06410937 | PB29367 | EN300-77620 | FT-0647065 | J-508956 | AM20070433 | BBL103962 | 2-Chloro-6-methoxypyrazine | 2-chloro-6-methoxy-pyrazine | P10361 | PYRAZINE, 2-CHLORO-6-METHOXY- | XWSSFRJLOZQOCX-UHFFFAOYSA-N | DS-11030 | 2-Methoxy-6-chloropyrazine

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508808238

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808238

Sorrisos canónicos

COC1=CN=CC(=N1)Cl

IUPAC Name

2-chloro-6-methoxypyrazine

InChIKey

XWSSFRJLOZQOCX-UHFFFAOYSA-N

INCHI

1S/C5H5ClN2O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3

SMILES isoméricas

COC1=CN=CC(=N1)Cl

Peso molecular

144.56

Reaxy-Rn

878952

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878952&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxypyrazines
• Alternative Parents: Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxypyrazine - 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
• Descrição: This compound belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring.
• 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

Propriedades químicas e físicas

• Peso molecular: 144.560 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.009 Da
• Monoisotopic Mass: 144.009 Da
• Topological Polar Surface Area: 35.000 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