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CS-W001157 4
Total: USD 88.00

2,7-Dibromo-9H-thioxanthen-9-one

  • CAS No. 40102-86-1

  • Cat. No. CS-0378226
  • Molecule weight370.06
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2,7-Dibromo-9H-thioxanthen-9-one|CS-0378226

Structure of 40102-86-1

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General Information

  • CAS No. 40102-86-1
  • Cat. No. CS-0378226
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₆Br₂OS
  • Molecular Weight 370.06
  • Synonym(s) 2,8-Dibromo-10H-dibenzo[b,e]thiopyran-10-one
  • SMILES O=C1C2=C(SC3=C1C=C(Br)C=C3)C=CC(Br)=C2

Description

2,7-Dibromo-9H-thioxanthen-9-one features a brominated xanthone core with two halogen substituents at the 2 and 7 positions, enhancing its reactivity in cross-coupling transformations. The thioxanthenone scaffold provides a rigid, electron-deficient platform ideal for conjugated system synthesis. This compound serves as a key intermediate in materials chemistry and pharmaceutical development, offering high stability under standard handling conditions.

Application

2,7-Dibromo-9H-thioxanthen-9-one serves as a versatile building block for brominated heterocyclic scaffolds, enabling palladium-catalyzed cross-coupling reactions with high regiocontrol. Its dibromo substitution pattern facilitates sequential functionalization, while the thioxanthone core offers enhanced stability and ease of purification. This compound functions effectively in the synthesis of advanced organic materials and complex polycyclic architectures.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   4.9397
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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