5-methyl-2-(1H-pyrazol-1-yl)benzaldehyde - ≥95% , CAS No.956723-07-2

CAS: 956723-07-2 Cat. No.: M340077 Peso molecular: 186.22

GRADE & PURITY ≥95%

Synonyms

5-methyl-2-(1H-pyrazol-1-yl)benzaldehyde | AKOS000303198 | DTXSID60649893 | LS-03798 | MFCD09054722 | 5-Methyl-2-(1H-pyrazol-1-yl)benzaldehyde, AldrichCPR | FT-0745846 | SCHEMBL3127051 | STK727295 | 5-methyl-2-pyrazol-1-ylbenzaldehyde | 5-Methyl-2-pyrazol

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

5-methyl-2-(1H-pyrazol-1-yl)benzaldehyde | AKOS000303198 | DTXSID60649893 | LS-03798 | MFCD09054722 | 5-Methyl-2-(1H-pyrazol-1-yl)benzaldehyde, AldrichCPR | FT-0745846 | SCHEMBL3127051 | STK727295 | 5-methyl-2-pyrazol-1-ylbenzaldehyde | 5-Methyl-2-pyrazol

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488200795
• Sonrisas canónicas: CC1=CC(=C(C=C1)N2C=CC=N2)C=O
• IUPAC Name: 5-methyl-2-pyrazol-1-ylbenzaldehyde
• InChIKey: LUDLYOVAMFPRFA-UHFFFAOYSA-N
• INCHI: 1S/C11H10N2O/c1-9-3-4-11(10(7-9)8-14)13-6-2-5-12-13/h2-8H,1H3
• Isómeros SMILES: CC1=CC(=C(C=C1)N2C=CC=N2)C=O
• Peso molecular: 186.22
• Reaxy-Rn: 43768306
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43768306&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Benzoyl derivatives Benzaldehydes Toluenes Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Benzaldehyde - Benzoyl - Toluene - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Azacycle - Aldehyde - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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: 186.210 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.079 Da
• Monoisotopic Mass: 186.079 Da
• Topological Polar Surface Area: 34.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 207.000
• 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