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CS-W001157 4
Total: USD 88.00

3,4-Dichlorophenyl isothiocyanate

  • CAS No. 6590-94-9

  • Cat. No. CS-0622482
  • Molecule weight204.08
  • Purity≥97%
  • MDL No.None

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

3,4-Dichlorophenyl isothiocyanate|CS-0622482

Structure of 6590-94-9

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General Information

  • CAS No. 6590-94-9
  • Cat. No. CS-0622482
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃Cl₂NS
  • Molecular Weight 204.08
  • Synonym(s) None
  • SMILES S=C=NC1=CC(Cl)=C(Cl)C=C1

Description

3,4-Dichlorophenyl isothiocyanate features a dual chloro substitution pattern that enhances electrophilicity at the isothiocyanate group. This bench-stable reagent integrates readily into amine-functionalized scaffolds, enabling efficient conjugation in bioconjugation and polymer synthesis workflows. The ortho- and para-chlorine atoms provide steric and electronic modulation, improving reaction selectivity and product stability.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H312-H314-H332
Precautionary Statements : P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P363-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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