1,4-Bis(tributylstannyl)benzene - ≥96% , CAS No.17151-51-8

CAS: 17151-51-8 Cat. No.: B167864 Molecular Weight: 656.2 EC Number: 803-078-1

GRADE & PURITY ≥96%

Synonyms

1,4-Bis(tributylstannyl)benzene|17151-51-8|1,4-Phenylenebis[tributylstannane]|Tributyl-(4-tributylstannylphenyl)stannane|Stannane, 1,4-phenylenebis[tributyl-|tributyl[4-(tributylstannyl)phenyl]stannane|1,4-Bis-tributylstannanylbenzene|DTXSID50448650|RZCML

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

1, 4-Bis(tributylstannyl)benzene | 17151-51-8 | 1, 4-Phenylenebis[tributylstannane] | Tributyl-(4-tributylstannylphenyl)stannane | Stannane, 1, 4-phenylenebis[tributyl- | tributyl[4-(tributylstannyl)phenyl]stannane | 1, 4-Bis-tributylstannanylbenzene | DTXSID50448650 | RZCML

Specifications & Purity

≥96%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488196940
• Canonical Smiles: CCCC[Sn](CCCC)(CCCC)C1=CC=C(C=C1)[Sn](CCCC)(CCCC)CCCC
• IUPAC Name: tributyl-(4-tributylstannylphenyl)stannane
• InChIKey: RZCMLHJDBZGVSJ-UHFFFAOYSA-N
• INCHI: 1S/C6H4.6C4H9.2Sn/c1-2-4-6-5-3-1;6*1-3-4-2;;/h1-2,5-6H;6*1,3-4H2,2H3
• Isomeric SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=C(C=C1)[Sn](CCCC)(CCCC)CCCC
• WGK Germany: 3
• Molecular Weight: 656.2
• Reaxy-Rn: 4540872
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4540872&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Metal aryls Trialkyltins Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Metal aryl - Monocyclic benzene moiety - Trialkyltin - Hydrocarbon derivative - Organotin compound - Organometallic compound - Organic post-transition metal moeity - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemical and Physical Properties

• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Molecular Weight: 656.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 20
• Exact Mass: 656.258 Da
• Monoisotopic Mass: 658.258 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 341.000
• 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

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