Difenzoquat - 100μg/mL,U(%)=2,Medium:Ethanol , CAS No.49866-87-7

CAS: 49866-87-7 Cat. No.: D768832 Fórmula: C₁₇H₁₇N₂ Peso molecular: 249.33 PubChem CID: 39425

GRADE & PURITY 100μg/mL,U(%)=2,Medium:Ethanol

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

100μg/mL,U(%)=2,Medium:Ethanol

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: 1,2-dimethyl-3,5-diphenylpyrazol-1-ium
• InChIKey: LBGPXIPGGRQBJW-UHFFFAOYSA-N
• INCHI: 1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1
• Isómeros SMILES: CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3
• PubChem CID: 39425
• Peso molecular: 249.33

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: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - 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: Pyrazole herbicides

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: 249.330 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 249.139 Da
• Monoisotopic Mass: 249.139 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 1
• Complexity: 251.000
• 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

Referencias

1. Yuzhu Li, Zhongxiang Ding, Hongyan Wang, Cheng Qu, Guangping Li, Honglin Liu.  (2025)  Reversible Swell–Shrink Hydrogel Microspheres for High-Selectivity Digital SERS Analysis of Nonvolatile Fentanyl in Simulated Breath Aerosols.  ANALYTICAL CHEMISTRY,      [PMID:39908397] [10.1021/acs.analchem.4c05999]

Preguntas frecuentes

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 49866-87-7, the molecular formula is C17H17N2, and the molecular weight is 249.33 g/mol. InChIKey LBGPXIPGGRQBJW-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.