5-Chloro-2,3-dimethylpyrazine - ≥98% , CAS No.59489-32-6

CAS: 59489-32-6 Cat. No.: C589603 Molecular Weight: 142.59 EC Number: 810-068-0

GRADE & PURITY ≥98%

Synonyms

Z1255462913 | AB68573 | 2-chloro-5,6-dimethylpyrazine | AKOS016002783 | MFCD13189517 | A869190 | 5-chloro-2,3-dimethyl pyrazine | DTXSID10503976 | EN300-154935 | 5-Chloro-2,3-dimethylpyrazine | Y10049 | SCHEMBL609820 | SY111270 | MEWMQKSSLANHCR-UHFFFAOYSA

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Z1255462913 | AB68573 | 2-chloro-5, 6-dimethylpyrazine | AKOS016002783 | MFCD13189517 | A869190 | 5-chloro-2, 3-dimethyl pyrazine | DTXSID10503976 | EN300-154935 | 5-Chloro-2, 3-dimethylpyrazine | Y10049 | SCHEMBL609820 | SY111270 | MEWMQKSSLANHCR-UHFFFAOYSA

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767164
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767164
• Canonical Smiles: CC1=NC=C(N=C1C)Cl
• IUPAC Name: 5-chloro-2,3-dimethylpyrazine
• InChIKey: MEWMQKSSLANHCR-UHFFFAOYSA-N
• INCHI: 1S/C6H7ClN2/c1-4-5(2)9-6(7)3-8-4/h3H,1-2H3
• Isomeric SMILES: CC1=NC=C(N=C1C)Cl
• Alternate CAS: 59489-32-6
• Molecular Weight: 142.59
• Reaxy-Rn: 114120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114120&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: Pyrazines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• 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: 142.580 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.03 Da
• Monoisotopic Mass: 142.03 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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