2-(3-chloropyrazin-2-yl)acetic acid;sodium salt - ≥97% , CAS No.1845706-45-7

CAS: 1845706-45-7 Cat. No.: A630829 PubChem CID: 91933827

GRADE & PURITY ≥97%

Synonyms

Sodium 2-(3-chloropyrazin-2-yl)acetic acid | 1845706-45-7 | sodium | 2-(3-chloropyrazin-2-yl)acetate | SODIUM 2-(3-CHLOROPYRAZIN-2-YL)ACETATE | VYC70645 | MFCD29037482 | Sodium2-(3-chloropyrazin-2-yl)aceticacid | P15537 | EN300-7421763

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Sodium 2-(3-chloropyrazin-2-yl)acetic acid | 1845706-45-7 | sodium | 2-(3-chloropyrazin-2-yl)acetate | SODIUM 2-(3-CHLOROPYRAZIN-2-YL)ACETATE | VYC70645 | MFCD29037482 | Sodium2-(3-chloropyrazin-2-yl)aceticacid | P15537 | EN300-7421763

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CN=C(C(=N1)CC(=O)[O-])Cl.[Na+]
• IUPAC Name: sodium;2-(3-chloropyrazin-2-yl)acetate
• InChIKey: RMTAAEPFBBKWDD-UHFFFAOYSA-M
• INCHI: 1S/C6H5ClN2O2.Na/c7-6-4(3-5(10)11)8-1-2-9-6;/h1-2H,3H2,(H,10,11);/q;+1/p-1
• Isomeric SMILES: C1=CN=C(C(=N1)CC(=O)[O-])Cl.[Na+]
• PubChem CID: 91933827

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 Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl chloride - Aryl halide - Pyrazine - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic metal halide - Organic oxide - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen 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