3-(4-Aminophenyl)pyrazole - ≥95% , CAS No.89260-45-7

CAS: 89260-45-7 Cat. No.: A487341 Fórmula: C₉H₉N₃ Peso molecular: 159.19 Número EC: 852-803-8

CALIDAD & PUREZA ≥95%

Synonyms

AKOS015921228 | SY130907 | A843106 | AC-22868 | WGZDTRWVJYXEFO-UHFFFAOYSA-N | 41ND1F03QE | AB01217681-03 | 4-(1H-pyrazol-5-yl)aniline | DTXSID60370711 | F2165-0004 | AKOS006227587 | BP-10184 | Q27258453 | 3-(4-Aminophenyl)pyrazole | 3-(4-aminophenyl)-pyra

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

AKOS015921228 | SY130907 | A843106 | AC-22868 | WGZDTRWVJYXEFO-UHFFFAOYSA-N | 41ND1F03QE | AB01217681-03 | 4-(1H-pyrazol-5-yl)aniline | DTXSID60370711 | F2165-0004 | AKOS006227587 | BP-10184 | Q27258453 | 3-(4-Aminophenyl)pyrazole | 3-(4-aminophenyl)-pyra

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light,Argon charged,Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

488192717

Sonrisas canónicas

C1=CC(=CC=C1C2=CC=NN2)N

IUPAC Name

4-(1H-pyrazol-5-yl)aniline

InChIKey

WGZDTRWVJYXEFO-UHFFFAOYSA-N

INCHI

1S/C9H9N3/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,10H2,(H,11,12)

Isómeros SMILES

C1=CC(=CC=C1C2=CC=NN2)N

Peso molecular

159.19

Reaxy-Rn

11604592

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11604592&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: Aniline and substituted anilines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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

• Sensibilidad: Light & Moisture & Heat sensitive
• Punto de fusión (°C): 110-115 °C
• Peso molecular: 159.190 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.08 Da
• Monoisotopic Mass: 159.08 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 141.000
• 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

Preguntas frecuentes

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, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 89260-45-7, the molecular formula is C9H9N3, and the molecular weight is 159.19 g/mol. InChIKey WGZDTRWVJYXEFO-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.