Tris(4-trifluoromethylphenyl)bismuth Dichloride - ≥98%(T) , CAS No.121882-75-5

CAS: 121882-75-5 Cat. No.: T162394 Molecular Weight: 715.19 EC Number: 678-520-8 PubChem CID: 44409351

GRADE & PURITY ≥98%(T)

Synonyms

T71645 | (4-cf3c6h4)3bicl2 | AKOS015852856 | DTXSID80658780 | MFCD06797186 | Dichlorotris[4-(trifluoromethyl)phenyl]-lambda~5~-bismuthane | J-004702 | Tris(4-trifluoromethylphenyl)bismuth Dichloride | Tris(4-trifluoromethylphenyl)bismuthDichloride | dichl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

T71645 | (4-cf3c6h4)3bicl2 | AKOS015852856 | DTXSID80658780 | MFCD06797186 | Dichlorotris[4-(trifluoromethyl)phenyl]-lambda~5~-bismuthane | J-004702 | Tris(4-trifluoromethylphenyl)bismuth Dichloride | Tris(4-trifluoromethylphenyl)bismuthDichloride | dichl

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1C(F)(F)F)[Bi](C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)(Cl)Cl
• IUPAC Name: dichloro-tris[4-(trifluoromethyl)phenyl]bismuth
• InChIKey: VOZWPVZQISDWJM-UHFFFAOYSA-L
• INCHI: 1S/3C7H4F3.Bi.2ClH/c3*8-7(9,10)6-4-2-1-3-5-6;;;/h3*2-5H;;2*1H/q;;;+2;;/p-2
• Isomeric SMILES: C1=CC(=CC=C1C(F)(F)F)[Bi](C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)(Cl)Cl
• PubChem CID: 44409351
• Molecular Weight: 715.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Metal aryls Organic metal salts Organofluorides Organo-post-transition metal compounds Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Metal aryl - Organic metal salt - Hydrocarbon derivative - Organometallic compound - Organofluoride - Organic post-transition metal moeity - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Molecular Weight: 715.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 713.998 Da
• Monoisotopic Mass: 713.998 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 574.000
• 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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