3,4-Dichlorophenyl Isothiocyanate
- CAS No.6590-94-9
- GradeIndustrial / Pharmaceutical
- Availability● In Stock
High-purity 3,4-Dichlorophenyl isothiocyanate (CAS 6590-94-9), a key building block for advanced organic synthesis in pharmaceutical and agrochemical R&D.
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Product Overview
3,4-Dichlorophenyl isothiocyanate is a high-value aromatic isothiocyanate widely employed as a versatile intermediate in fine chemical synthesis. With a molecular formula of C7H3Cl2NS and a molecular weight of 204.08 g/mol, this compound features two chlorine substituents at the 3- and 4-positions of the phenyl ring, conferring enhanced electrophilicity and regioselectivity in nucleophilic substitution reactions. Its reactive isothiocyanate (–N=C=S) functional group enables facile conjugation with amines to form thiourea derivatives, making it indispensable in the construction of complex heterocyclic scaffolds.
Specifications
| Molecular Formula | C7H3Cl2NS |
|---|---|
| Molecular Weight | 204.08 g/mol |
| Density | 1.422 g/mL at 25 °C (lit.) |
| Boiling Point | 134–136 °C at 7 mm Hg (lit.) |
| Flash Point | >230 °F |
| Assay | ≥99.0% |
| Appearance | Orange-yellow transparent liquid |
Industrial Applications
This compound serves primarily as a specialty intermediate in the development of active pharmaceutical ingredients (APIs), crop protection agents, and functional materials. Key application areas include:
- Synthesis of thiourea-based bioactive molecules for medicinal chemistry programs
- Preparation of ligands and catalysts in organometallic chemistry
- Building block for fluorescent probes and analytical reagents
- Intermediate in the manufacture of specialty polymers and dyes
Due to its reactivity and stability profile, 3,4-dichlorophenyl isothiocyanate is handled under inert atmosphere and stored in a cool, well-ventilated area away from moisture and strong bases. Standard packaging is 200 kg per drum, with custom options available upon request.
