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CS-W001157 4
Total: USD 88.00

Anastrozole impurity 1

  • CAS No. 120511-84-4

  • Cat. No. CS-0179353
  • Purity≥98%
  • MDL No.MFCD07782114

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

Anastrozole impurity 1|CS-0179353

Structure of 120511-84-4

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General Information

  • CAS No. 120511-84-4
  • Cat. No. CS-0179353
  • Purity ≥98%
  • MDL No. MFCD07782114
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₇BrN₂
  • Molecular Weight 305.22
  • Synonym(s) None
  • SMILES N#CC(C)(C)C1=CC(CBr)=CC(C(C)(C)C#N)=C1

Description

This compound features a central 1,3-phenylene core bearing two bromomethyl groups at the 5-positions and two methylpropanenitrile side chains at the 2-positions. The bromomethyl functionality enables downstream coupling reactions, while the nitrile groups contribute to solubility and stability. Designed as an impurity reference for anastrozole, it serves as a critical control in analytical method development and quality assurance workflows.

Synthesis

  • Route1

    References

    • Glenmark Pharmaceuticals Limited Patent: US2006/189670 A1, 2006 ; Location in patent: Page/Page column 5; 7 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   47.58
  • LogP   4.18386
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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