5-pirimidinecarbossilato di etile - ≥98% , CAS No.40929-50-8

CAS: 40929-50-8 Cat. No.: E170215 Formula: C₇H₈N₂O₂ Peso molecolare: 152.15 Numero EC: 628-882-8

GRADE & PURITY ≥98%

Synonyms

SCHEMBL489451 | A18751 | InChI=1/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H | EN300-7261514 | FT-0649923 | SB57551 | Ethyl pyrimidine-5-carboxylate;Ethyl 5-Pyrimidinecarboxylate | ethyl pyrimidine-5-carboxylate | DTXSID90400994 | Ethyl 5-pyrimidinec

Storage

Temperatura ambiente

Shipped In

Normale

Panoramica

L'estere etilico dell'acido 5-pirimidinecarbossilato o dell'acido pirimidinico-5-carbossilico può essere preparato a partire dalla 5-bromo-pirimidina mediante metallizzazione seguita da trattamento con cianoformato di etile.

Specifications

Sinonimi

SCHEMBL489451 | A18751 | InChI=1/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H | EN300-7261514 | FT-0649923 | SB57551 | Ethyl pyrimidine-5-carboxylate;Ethyl 5-Pyrimidinecarboxylate | ethyl pyrimidine-5-carboxylate | DTXSID90400994 | Ethyl 5-pyrimidinec

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504762927
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762927
• Sorrisi canonici: CCOC(=O)C1=CN=CN=C1
• IUPAC Name: ethyl pyrimidine-5-carboxylate
• InChIKey: YCWDQAKDVQNVAR-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H3
• Isomeri SMILES: CCOC(=O)C1=CN=CN=C1
• WGK Germania: 3
• Numero NSC: C7H8N2O2
• Peso molecolare: 152.15
• Reaxy-Rn: 608322
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608322&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidinecarboxylic acids and derivatives
          • Level6 Pyrimidinecarboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidinecarboxylic acids and derivatives
• Direct Parent: Pyrimidinecarboxylic acids
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine-5-carboxylic acid - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D: 1.495 (lit.)
• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): 110 °C
• Punto di ebollizione (°C): 103 °C/12 mmHg (lit.)
• Peso molecolare: 152.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 132.000
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 40929-50-8, the molecular formula is C7H8N2O2, and the molecular weight is 152.15 g/mol. InChIKey YCWDQAKDVQNVAR-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.

What is the purity of this product?

This product is supplied at ≥98% 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.