4-etil-1H-pirazoli - ≥95% , CAS No.17072-38-7

CAS: 17072-38-7 Cat. No.: E167848 Formula: C₅H₈N₂ Peso molecolare: 96.13 Numero EC: 801-782-3

GRADE & PURITY ≥95%

Synonyms

LS-05906 | AM803320 | 4-ethyl-1H-pyrazole | DTXSID00513322 | 4-Ethyl-1H-pyrazole, AldrichCPR | IHNXHUNMFYXQCG-UHFFFAOYSA-N | MFCD18449289 | SY086657 | EN300-71365 | Z1139192482 | 4-ethylpyrazole | AKOS006282291

Storage

Temperatura ambiente

Shipped In

Normale

Specifications

Sinonimi

LS-05906 | AM803320 | 4-ethyl-1H-pyrazole | DTXSID00513322 | 4-Ethyl-1H-pyrazole, AldrichCPR | IHNXHUNMFYXQCG-UHFFFAOYSA-N | MFCD18449289 | SY086657 | EN300-71365 | Z1139192482 | 4-ethylpyrazole | AKOS006282291

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488198296
• Sorrisi canonici: CCC1=CNN=C1
• IUPAC Name: 4-ethyl-1H-pyrazole
• InChIKey: IHNXHUNMFYXQCG-UHFFFAOYSA-N
• INCHI: 1S/C5H8N2/c1-2-5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7)
• Isomeri SMILES: CCC1=CNN=C1
• WGK Germania: 3
• Peso molecolare: 96.13
• Reaxy-Rn: 106442
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106442&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: Pyrazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three 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

Proprietà chimiche e fisiche

• Peso molecolare: 96.130 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 96.0687 Da
• Monoisotopic Mass: 96.0687 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.000
• 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 17072-38-7, the molecular formula is C5H8N2, and the molecular weight is 96.13 g/mol. InChIKey IHNXHUNMFYXQCG-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.