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CS-W001157 4
Total: USD 88.00

7-Bromohept-1-yne

  • CAS No. 81216-14-0

  • Cat. No. CS-0527936
  • Purity≥96%
  • MDL No.MFCD20343079

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

7-Bromohept-1-yne|CS-0527936

Structure of 81216-14-0

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General Information

  • CAS No. 81216-14-0
  • Cat. No. CS-0527936
  • Purity ≥96%
  • MDL No. MFCD20343079
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁Br
  • Molecular Weight 175.07
  • Synonym(s) None
  • SMILES C#CCCCCCBr

Description

7-Bromohept-1-yne is a terminal alkyne featuring a bromine substituent at the C7 position, enabling direct functionalization via cross-coupling. This linear alkynyl bromide exhibits high reactivity in palladium-catalyzed transformations and maintains stability under standard handling conditions. The molecule integrates seamlessly into complex architectures requiring site-specific alkyne incorporation.

Application

7-Bromohept-1-yne serves as a versatile alkynyl building block in transition-metal-catalyzed coupling reactions, enabling efficient access to substituted alkynes and conjugated systems. Its terminal alkyne functionality facilitates Sonogashira, Glaser, and Cadiot-Chodkiewicz couplings with high reliability. The bromide substituent provides orthogonal reactivity for palladium-catalyzed cross-coupling, allowing sequential functionalization. Bench-stable and readily purified by distillation, it supports scalable synthesis of complex molecular architectures in medicinal chemistry and materials science applications.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.5749
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   4

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