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CS-W001157 4
Total: USD 88.00

2-(tert-Butyl)phenylisocyanate

  • CAS No. 56309-60-5

  • Cat. No. CS-0272602
  • Purity≥97%
  • MDL No.None

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

2-(tert-Butyl)phenylisocyanate|CS-0272602

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General Information

  • CAS No. 56309-60-5
  • Cat. No. CS-0272602
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO
  • Molecular Weight 175.23
  • Synonym(s) None
  • SMILES CC(C)(C)C1=CC=CC=C1N=C=O

Description

2-(tert-Butyl)phenylisocyanate features a sterically hindered aryl isocyanate group that enhances stability and reduces unwanted side reactions. This bench-stable reagent integrates efficiently into urea and carbamate synthesis, offering predictable reactivity in functionalization workflows.

Application

2-(tert-Butyl)phenylisocyanate serves as a robust building block for urea and carbamate synthesis, enabling efficient access to functionalized aromatic scaffolds. Its tert-butyl group enhances steric stability and improves bench handling, while the isocyanate functionality exhibits high reactivity toward alcohols, amines, and water under mild conditions. The compound demonstrates excellent functional group tolerance and facilitates straightforward purification, making it ideal for modular library construction in medicinal chemistry and process development workflows.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H334
Precautionary Statements : P261-P264-P270-P271-P280-P285-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   N/A
  • LogP   N/A
  • H_Acceptors   N/A
  • H_Donors   N/A
  • Rotatable_Bonds   N/A

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