Tris(1-pyrazolyl)methane - ≥98%(HPLC) , CAS No.80510-03-8

CAS: 80510-03-8 Cat. No.: T162444 Formule: C₁₀H₁₀N₆ Poids moléculaire: 214.23 PubChem CID: 5243808

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-[bis(1H-pyrazol-1-yl)methyl]-1H-pyrazole | 1-[di(pyrazol-1-yl)methyl]pyrazole | T3026 | DTXSID60412766 | tripyrazol-1-ylmethane | MFCD00040255 | Tris(pyrazolyl)-methane | SCHEMBL737313 | SY055229 | Tris(pyrazol-1-yl)methane, AldrichCPR | Tri(1-pyrazolyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1-[bis(1H-pyrazol-1-yl)methyl]-1H-pyrazole | 1-[di(pyrazol-1-yl)methyl]pyrazole | T3026 | DTXSID60412766 | tripyrazol-1-ylmethane | MFCD00040255 | Tris(pyrazolyl)-methane | SCHEMBL737313 | SY055229 | Tris(pyrazol-1-yl)methane, AldrichCPR | Tri(1-pyrazolyl

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 488195180
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195180
• Sourires canoniques: C1=CN(N=C1)C(N2C=CC=N2)N3C=CC=N3
• IUPAC Name: 1-[di(pyrazol-1-yl)methyl]pyrazole
• InChIKey: QOHVIMQQEFHOLE-UHFFFAOYSA-N
• INCHI: 1S/C10H10N6/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16/h1-10H
• Isomères SMILES: C1=CN(N=C1)C(N2C=CC=N2)N3C=CC=N3
• PubChem CID: 5243808
• Poids moléculaire: 214.23
• Reaxy-Rn: 190438

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazoles
• Alternative Parents: Heteroaromatic compounds Ortho amides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Ortho amide - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Toluene
• Point de fusion (°C): 104 °C
• Poids moléculaire: 214.230 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.097 Da
• Monoisotopic Mass: 214.097 Da
• Topological Polar Surface Area: 53.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 197.000
• 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

Foire aux questions

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

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 80510-03-8, the molecular formula is C10H10N6, and the molecular weight is 214.23 g/mol. InChIKey QOHVIMQQEFHOLE-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.