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CS-W001157 4
Total: USD 88.00

4-Bromophenylisothiocyanate

  • CAS No. 1985-12-2

  • Cat. No. CS-0621880
  • Purity≥97%
  • MDL No.None

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

4-Bromophenylisothiocyanate|CS-0621880

Structure of 1985-12-2

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General Information

  • CAS No. 1985-12-2
  • Cat. No. CS-0621880
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrNS
  • Molecular Weight 214.08
  • Synonym(s) None
  • SMILES C1=CC(=CC=C1N=C=S)Br

Description

4-Bromophenylisothiocyanate features a brominated aromatic ring paired with a reactive isothiocyanate group, enabling efficient conjugation in bioconjugation and materials chemistry. This bench-stable reagent facilitates site-specific labeling and functionalization under standard conditions.

Application

4-Bromophenylisothiocyanate serves as a versatile building block for constructing thiourea and thiadiazole derivatives in medicinal chemistry and materials science. Its bromine substituent enables subsequent cross-coupling reactions, while the isothiocyanate group facilitates rapid conjugation with amines under mild conditions. The compound exhibits good bench stability and ease of purification, making it suitable for multi-step synthesis and API development workflows.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07,GHS08
Signal Word : Danger
UN#: 2923
Class : 8 (6.1)
Packing Group : Ⅱ
Hazard Statements : H302-H312-H314-H332-H334-H335
Precautionary Statements : P260-P264-P270-P271-P280-P285-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P363-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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