Imidazoles - Ultra puro, ≥99%(NMR), útil en el rango de pH 6.2-7.8 , CAS No.288-32-4

CAS: 288-32-4 Cat. No.: I755524 Fórmula: C₃H₄N₂ Peso molecular: 68.08 Beilstein Registry Number: 103853 Número EC: 206-019-2

CALIDAD & PUREZA Ultra pure, ≥99%(NMR), useful in pH range 6.2-7.8

Storage

Temperatura ambiente

Shipped In

Normal

Descripción general

Tampón superior en el rango de pH de 6,2-7,8. Tiene un _pKa de 7,0 a 20°C.

Útil en el rango de pH de 6,2-7,8.

Aplicación:

• Predicción del rendimiento de adsorción de ZIF-67 para el verde de malaquita basado en una red neuronal artificial utilizando el algoritmo L-BFGS.: Utilizando estructuras basadas en imidazoles, específicamente ZIF-67, este estudio muestra la eficacia de las estructuras de imidazoles en la adsorción y eliminación de colorantes industriales del agua, destacando las aplicaciones medioambientales de los imidazoles en los procesos de tratamiento del agua(Xiong C et al., 2024).

Especificaciones

Especificaciones y pureza

Ultra puro, ≥99%(NMR), útil en el rango de pH 6.2-7.8

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Grado

Ultra pure

Pureza

≥99%(NMR)

Nombres e identificadores

Sonrisas canónicas

C1=CN=CN1

IUPAC Name

1H-imidazole

InChIKey

RAXXELZNTBOGNW-UHFFFAOYSA-N

INCHI

1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)

Isómeros SMILES

C1=CN=CN1

WGK Alemania

1

RTECS

NI3325000

Número ONU

2923

Peso molecular

68.08

Beilstein

103853

Reaxy-Rn

103853

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103853&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Imidazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• External Descriptors: an aromatic compound

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

• Solubilidad: water: 100 mg/mL
• Punto de inflamación (°C): 145℃
• Punto de ebullición (°C): 257°C
• Punto de fusión (°C): 90-91°C
• Peso molecular: 68.080 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 68.0374 Da
• Monoisotopic Mass: 68.0374 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 28.100
• 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

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by NMR. Lot-specific values are stated on the Certificate of Analysis.

What does Ultra pure mean?

Ultra pure is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Ultra pure is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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 288-32-4, the molecular formula is C3H4N2, and the molecular weight is 68.08 g/mol. InChIKey RAXXELZNTBOGNW-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.