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

CAS: 33332-30-8 Cat. No.: C192788 Formula: C₅H₅ClN₂O Molecular Weight: 144.56 EC Number: 863-338-5

GRADE & PURITY ≥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

Specifications

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

508808238

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

COC1=CN=CC(=N1)Cl

Molecular Weight

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
    • Class Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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