1-Methyl-5-(tributylstannyl)-1H-pyrazole - ≥97% , CAS No.170682-50-5

CAS: 170682-50-5 Cat. No.: M468830 Peso molecular: 371.15 Número EC: 688-548-2

GRADE & PURITY ≥97%

Synonyms

1-Methyl-5-(tributylstannyl)-1H-pyrazole, 97% | MEFBHJAGBFBLEH-UHFFFAOYSA-N | 1H-Pyrazole, 1-methyl-5-(tributylstannyl)- | F30151 | A907578 | DTXSID80619098 | (2-methyl-2H-pyrazol-3-yl)-tri-n-butyltin | tributyl-(2-methylpyrazol-3-yl)stannane | MFCD196869

Storage

Room temperature

Specifications

Sinónimos

1-Methyl-5-(tributylstannyl)-1H-pyrazole, 97% | MEFBHJAGBFBLEH-UHFFFAOYSA-N | 1H-Pyrazole, 1-methyl-5-(tributylstannyl)- | F30151 | A907578 | DTXSID80619098 | (2-methyl-2H-pyrazol-3-yl)-tri-n-butyltin | tributyl-(2-methylpyrazol-3-yl)stannane | MFCD196869

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCCC[Sn](CCCC)(CCCC)C1=CC=NN1C
• IUPAC Name: tributyl-(2-methylpyrazol-3-yl)stannane
• InChIKey: MEFBHJAGBFBLEH-UHFFFAOYSA-N
• INCHI: 1S/C4H5N2.3C4H9.Sn/c1-6-4-2-3-5-6;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3
• Isómeros SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=NN1C
• WGK Alemania: 3
• Peso molecular: 371.15
• Reaxy-Rn: 10682806
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10682806&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Clase Metal aryls

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Clase: Metal aryls
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Metal aryls
• Alternative Parents: Pyrazoles Heteroaromatic compounds Trialkyltins Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Metal aryl - Heteroaromatic compound - Pyrazole - Azole - Trialkyltin - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organotin compound - Organonitrogen compound - Organic post-transition metal moeity - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as metal aryls. These are organometallic compounds hat containing a metal atom substituted by on or more aryl groups.
• 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

• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Peso molecular: 371.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 372.159 Da
• Monoisotopic Mass: 372.159 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 211.000
• 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

XLogP3