Ethyl 6-chloropyrazine-2-carboxylate - ≥95% , CAS No.161611-46-7

CAS: 161611-46-7 Cat. No.: E191271 Formula: C₇H₇ClN₂O₂ Peso molecolare: 186.6

GRADE & PURITY ≥95%

Synonyms

6-Chloro-pyrazine-2-carboxylic acid ethyl ester | 6-chloropyrazine-2-carboxylic acid ethyl ester | DTXSID70597917 | SCHEMBL3697022 | Ethyl 6-chloropyrazine-2-carboxylate | AKOS016008198 | Ethyl 6-Chloro-2-Pyrazinecarboxylate | BBIOIIDDANTAIE-UHFFFAOYSA-N

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

6-Chloro-pyrazine-2-carboxylic acid ethyl ester | 6-chloropyrazine-2-carboxylic acid ethyl ester | DTXSID70597917 | SCHEMBL3697022 | Ethyl 6-chloropyrazine-2-carboxylate | AKOS016008198 | Ethyl 6-Chloro-2-Pyrazinecarboxylate | BBIOIIDDANTAIE-UHFFFAOYSA-N

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CCOC(=O)C1=CN=CC(=N1)Cl

IUPAC Name

ethyl 6-chloropyrazine-2-carboxylate

InChIKey

BBIOIIDDANTAIE-UHFFFAOYSA-N

INCHI

1S/C7H7ClN2O2/c1-2-12-7(11)5-3-9-4-6(8)10-5/h3-4H,2H2,1H3

Isomeri SMILES

CCOC(=O)C1=CN=CC(=N1)Cl

Peso molecolare

186.6

Reaxy-Rn

13574339

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13574339&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrazines
        • Level5 Pyrazine carboxylic acids and derivatives
          • Level6 Pyrazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Pyrazine carboxylic acids and derivatives
• Direct Parent: Pyrazine carboxylic acids
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine carboxylic acid - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 186.590 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.02 Da
• Monoisotopic Mass: 186.02 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 161611-46-7, the molecular formula is C7H7ClN2O2, and the molecular weight is 186.6 g/mol. InChIKey BBIOIIDDANTAIE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.