3-Chlorophenyl isothiocyanate
3-Chlorophenyl isothiocyanate (CAS: 2392-68-9; Formula: ClC6H4NCS; MW: 169.63) is a versatile organic compound. As a key building block, it is employed in chemical synthesis for the creation of complex heterocyclic structures. Its applications span the development of novel pharmaceutical intermediates and research chemicals, owing to its reactive isothiocyanate group and substituted phenyl ring. This compound serves as a valuable reagent for organic chemists engaged in synthetic research and discovery.
Synthesis of Heterocyclic Compounds
3-Chlorophenyl isothiocyanate is utilised in the synthesis of complex fused heterocyclic systems, such as naphthofurothiadiazolopyrimidinones. These structures are of interest in medicinal chemistry research.
Pharmaceutical Intermediate Development
This compound serves as a precursor in the multi-step synthesis of potential pharmaceutical agents. For instance, it has been employed in constructing novel oxazolidinone derivatives with potential therapeutic applications.
Organic Synthesis Reagent
As a substituted isothiocyanate, it is a valuable reagent for introducing the 3-chlorophenylthiocarbamoyl moiety into organic molecules. This facilitates the exploration of diverse chemical space in drug discovery and materials science.
| Molecular weight | 169.63 |
|---|---|
| Linear formula | ClC6H4NCS |
| Assay | 98% |
| Boiling point | 249-250 °C(lit.) |
| Density | 1.292 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.6585(lit.) |
| Application | 3-Chlorophenyl isothiocyanate has been used in the synthesis of:• 2-[(3-chlorophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-i]pyrimidin-5-one1• (S)-N-[3-{N-(3-chlorophenyl)-4-(3-fluorophenyl)piperazine]-1-carbothioamido}-2-oxooxazolidin-5-yl)methyl]acetamide2 |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Transport (UN / ADR) | UN 2810 6.1 / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-37/39 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 3-Chlorophenyl isothiocyanate used for?
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3-Chlorophenyl isothiocyanate is used as a building block in chemical synthesis, particularly for creating complex heterocyclic compounds and as an intermediate in the development of potential pharmaceutical agents and research chemicals.
What is the CAS number and chemical formula for 3-Chlorophenyl isothiocyanate?
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The CAS number for 3-Chlorophenyl isothiocyanate is 2392-68-9, and its chemical formula is ClC6H4NCS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-Chlorophenyl isothiocyanate with a minimum purity of 98%. We do not represent this product as USP, BP, or EP grade.
How should 3-Chlorophenyl isothiocyanate be handled safely?
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3-Chlorophenyl isothiocyanate is a Warning substance that is harmful if swallowed, in contact with skin, or if inhaled, and causes skin and serious eye irritation. It may also cause respiratory irritation. Always use appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, and handle in a well-ventilated area as per safety data sheet recommendations.
Does TSS export 3-Chlorophenyl isothiocyanate?
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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, including 3-Chlorophenyl isothiocyanate.
How can I request a quote or sample?
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To request a quote or sample of 3-Chlorophenyl isothiocyanate, please contact our sales team through the website or by phone, referencing the product CAS number 2392-68-9.
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