4-methoxy-1H-pyrazole - ≥97% , CAS No.14884-01-6

CAS: 14884-01-6 Cat. No.: M174343 Fórmula: C₄H₆N₂O Peso molecular: 98.105

GRADE & PURITY ≥97%

Synonyms

FT-0743226 | AS-57888 | DTXSID50415948 | 1H-Pyrazole, 4-methoxy- | AKOS024124157 | 4-methoxypyrazole | 4-methoxy-pyrazole | A1-08556 | MFCD22394063 | SY100279 | EN300-205144 | InChI=1/C4H6N2O/c1-7-4-2-5-6-3-4/h2-3H,1H3,(H,5,6 | 4-methoxy-1H-pyrazole | NCF

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0743226 | AS-57888 | DTXSID50415948 | 1H-Pyrazole, 4-methoxy- | AKOS024124157 | 4-methoxypyrazole | 4-methoxy-pyrazole | A1-08556 | MFCD22394063 | SY100279 | EN300-205144 | InChI=1/C4H6N2O/c1-7-4-2-5-6-3-4/h2-3H,1H3,(H,5,6 | 4-methoxy-1H-pyrazole | NCF

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

COC1=CNN=C1

IUPAC Name

4-methoxy-1H-pyrazole

InChIKey

NCFMDIJKEYGCRD-UHFFFAOYSA-N

INCHI

1S/C4H6N2O/c1-7-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)

Isómeros SMILES

COC1=CNN=C1

Peso molecular

98.105

Reaxy-Rn

1616843

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1616843&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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

Propiedades químicas y físicas

• Peso molecular: 98.100 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 98.048 Da
• Monoisotopic Mass: 98.048 Da
• Topological Polar Surface Area: 37.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 57.700
• 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

Preguntas frecuentes

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

The CAS Number is 14884-01-6, the molecular formula is C4H6N2O, and the molecular weight is 98.105 g/mol. InChIKey NCFMDIJKEYGCRD-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.

How is this product shipped?

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

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.