Tri-o-tolylbismuthine - ≥98%(HPLC)(T) , CAS No.10050-08-5

CAS: 10050-08-5 Cat. No.: T162391 Molecular Weight: 482.38 Beilstein Registry Number: 16(4)1229 PubChem CID: 10972889

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

T1970 | D92555 | MFCD00123270 | Tri-o-tolylbismuthine | trio-tolylbismuthine | DTXSID70450290 | FT-0757242 | Bismuthine, tris(2-methylphenyl)- | DWIMJCTYUMGECA-UHFFFAOYSA-N | AKOS015840503 | AS-61346 | Tris(2-methylphenyl)bismuthine | tri-o-tolylbismuth |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

T1970 | D92555 | MFCD00123270 | Tri-o-tolylbismuthine | trio-tolylbismuthine | DTXSID70450290 | FT-0757242 | Bismuthine, tris(2-methylphenyl)- | DWIMJCTYUMGECA-UHFFFAOYSA-N | AKOS015840503 | AS-61346 | Tris(2-methylphenyl)bismuthine | tri-o-tolylbismuth |

Specifications & Purity

≥98%(HPLC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)(T)

Names and Identifiers

• Canonical Smiles: CC1=CC=CC=C1[Bi](C2=CC=CC=C2C)C3=CC=CC=C3C
• IUPAC Name: tris(2-methylphenyl)bismuthane
• InChIKey: DWIMJCTYUMGECA-UHFFFAOYSA-N
• INCHI: 1S/3C7H7.Bi/c3*1-7-5-3-2-4-6-7;/h3*2-5H,1H3
• Isomeric SMILES: CC1=CC=CC=C1[Bi](C2=CC=CC=C2C)C3=CC=CC=C3C
• PubChem CID: 10972889
• Molecular Weight: 482.38
• Beilstein: 16(4)1229
• Reaxy-Rn: 3908926

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Metal aryls Organo-post-transition metal compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Metal aryl - Hydrocarbon derivative - Organometallic compound - Organic post-transition metal moeity - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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

Chemical and Physical Properties

• Melt Point(°C): 134 °C
• Molecular Weight: 482.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 482.145 Da
• Monoisotopic Mass: 482.145 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 286.000
• 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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