2-Chloro-3,5-dimethylpyrazine - ≥95%(GC) , CAS No.38557-72-1

CAS: 38557-72-1 Cat. No.: C153710 Molecular Weight: 142.59 EC Number: 696-037-0

GRADE & PURITY ≥95%(GC)

Synonyms

2-chloro-3,5-dimethyl pyrazine | AM20070351 | BTGGHNHGPURMEO-UHFFFAOYSA-N | 2-chloro 3,5-dimethyl pyarazine | DS-1487 | PS-3537 | SY023945 | A824192 | AKOS006345707 | 2-chloro-3,5-dimethylpyrazine | 2-chloro-3,5-dimethyl-pyrazine | 2-chloro 3,5-dimethyl p

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-chloro-3, 5-dimethyl pyrazine | AM20070351 | BTGGHNHGPURMEO-UHFFFAOYSA-N | 2-chloro 3, 5-dimethyl pyarazine | DS-1487 | PS-3537 | SY023945 | A824192 | AKOS006345707 | 2-chloro-3, 5-dimethylpyrazine | 2-chloro-3, 5-dimethyl-pyrazine | 2-chloro 3, 5-dimethyl p

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504766637
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766637
• Canonical Smiles: CC1=CN=C(C(=N1)C)Cl
• IUPAC Name: 2-chloro-3,5-dimethylpyrazine
• InChIKey: BTGGHNHGPURMEO-UHFFFAOYSA-N
• INCHI: 1S/C6H7ClN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3
• Isomeric SMILES: CC1=CN=C(C(=N1)C)Cl
• Molecular Weight: 142.59
• Reaxy-Rn: 114041
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114041&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

• Sensitivity: Air Sensitive
• Refractive Index: 1.53
• Flash Point(°C): 83 °C
• Boil Point(°C): 112°C/70mmHg(lit.)
• 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