Ethyl 3-pyrazolecarboxylate - ≥98%(GC) , CAS No.5932-27-4

CAS: 5932-27-4 Cat. No.: E136202 Formula: C₆H₈N₂O₂ Peso molecolare: 140.14 Numero EC: 801-720-5

QUALITÀ & PUREZZA ≥98%(GC)

Synonyms

ethyl 1-H-pyrazole-3-carboxylate|ethyl 1H-pyrazole-3-carboxylate|1-ethyl-1H-pyrazole-3-carboxylate|ethyl 1H-pyrazole-5(3)-carboxylate|Ethyl 3-Pyrazolecarboxylate|[2-(4-methoxyphenyl)-1-methylethyl]ethylamine|Ethyl-pyrazole-3-carboxylate|PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER|ethyl-3-pyrazolecarboxylate|Ethyl pyrazole-3-carboxylate|ethyl-1H-pyrazole-3-carboxylate|ethyl 5-pyrazolecarboxylate|2H-pyrazole-3-carboxylic acid ethylester|ethyl pyrazolecarboxylate|2H-Pyrazole-3-carboxylic acid ethyl ester|1,2-Cyclohexane dicarboxylic anhydride|3-ethoxycarbonyl-1H-pyrazole|ethyl 2H-pyrazole-3-carboxylate|3-(Ethoxycarbonyl)pyrazole|1H-PYRAZOLE-3-CARBOXYLICACID,ETHYLESTER|1H-pyrazole-3-carboxylic acid ethyl ester|ethyl 1H-pyrazole-5-carboxylate|Butanoic acid, 4-(octadecylamino)-4-oxo-2-sulfo-, disodium salt|ethoxycarbonylpyrazole|ethyl1H-pyrazole-5-carboxylate

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifiche

Sinonimi

ethyl 1-H-pyrazole-3-carboxylate | ethyl 1H-pyrazole-3-carboxylate | 1-ethyl-1H-pyrazole-3-carboxylate | ethyl 1H-pyrazole-5(3)-carboxylate | Ethyl 3-Pyrazolecarboxylate | [2-(4-methoxyphenyl)-1-methylethyl]ethylamine | Ethyl-pyrazole-3-carboxylate | PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER | ethyl-3-pyrazolecarboxylate | Ethyl pyrazole-3-c Mostra altro

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488196207

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196207

Sorrisi canonici

CCOC(=O)C1=CC=NN1

IUPAC Name

ethyl 1H-pyrazole-5-carboxylate

InChIKey

MSPOSRHJXMILNK-UHFFFAOYSA-N

INCHI

1S/C6H8N2O2/c1-2-10-6(9)5-3-4-7-8-5/h3-4H,2H2,1H3,(H,7,8)

Isomeri SMILES

CCOC(=O)C1=CC=NN1

WGK Germania

3

Peso molecolare

140.14

Reaxy-Rn

606936

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606936&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - 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 pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
• 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

• Sensibilità: Air Sensitive
• Punto di fusione (°C): 161 °C
• Peso molecolare: 140.140 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.059 Da
• Monoisotopic Mass: 140.059 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 5932-27-4, the molecular formula is C6H8N2O2, and the molecular weight is 140.14 g/mol. InChIKey MSPOSRHJXMILNK-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.