4-Nitrophenyl isothiocyanate
4-Nitrophenyl isothiocyanate (CAS: 2131-61-5; Formula: O2NC6H4NCS; MW: 180.18) is a versatile organic building block utilised in chemical synthesis. It serves as a key intermediate in the preparation of various heterocyclic compounds, including thienopyrimidinones and thiophene-3-carboxamides. This compound is essential for researchers developing novel organic molecules and pharmaceutical intermediates.
Synthesis of Thienopyrimidinone Derivatives
4-Nitrophenyl isothiocyanate is employed in the synthesis of 5,6-dimethyl-2-[(4-nitrophenyl)amino]thieno[2,3-d]pyrimidin-4(3H)-one. This application highlights its role in constructing complex heterocyclic systems.
Preparation of Carbamothioylaminothiophene Compounds
The chemical is used in the preparation of 4,5-dimethyl-2-substituted carbamothioylaminothiophene-3-carboxamides. This demonstrates its utility in synthesising thiophene-based organic molecules.
Formation of Triazene and Imidothiolate Derivatives
4-Nitrophenyl isothiocyanate participates in the synthesis of acyclic triazene or zwitterionic dihydropyrimidinium imidothiolate derivatives, showcasing its reactivity in diverse synthetic pathways.
| Molecular weight | 180.18 |
|---|---|
| Linear formula | O2NC6H4NCS |
| Assay | 98% |
| Boiling point | 137-138 °C/11 mmHg(lit.) |
| Application | 4-Nitrophenyl isothiocyanate has been used in the synthesis of:• 5,6-dimethyl-2-[(4-nitrophenyl)amino]thieno[2,3-d]pyrimidin-4(3H)-one1• 4,5-dimethyl-2-substituted carbamothioylaminothiophene-3-carboxamides1• acyclic triazene or zwitterionic dihydropyrimidinium imidothiolate derivatives2 |
| Melting point | 110-112 °C(lit.) |
Hazard statements
- H315Causes skin irritation
- H317May cause an allergic skin reaction
- H319Causes serious eye irritation
- H334May cause allergy or asthma symptoms 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
- P342
| Protective equipment | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
|---|---|
| Transport (UN / ADR) | UN 3335 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 36/37/38-42 |
| Safety statements (S) | 22-26-36 |
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 4-Nitrophenyl isothiocyanate used for?
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4-Nitrophenyl isothiocyanate is primarily used as a building block in chemical synthesis for the preparation of various organic compounds, including heterocyclic molecules like thienopyrimidinones and thiophene derivatives.
What are the CAS number and formula for 4-Nitrophenyl isothiocyanate?
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The CAS number is 2131-61-5, and the chemical formula is O2NC6H4NCS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 4-Nitrophenyl isothiocyanate with a purity of 98%. This is a technical/research grade; we do not represent it as USP, BP, or EP grade.
How should 4-Nitrophenyl isothiocyanate be handled safely?
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4-Nitrophenyl isothiocyanate is classified as a danger with hazards including skin irritation (H315), sensitisation (H317), eye irritation (H319), respiratory sensitisation (H334), and respiratory irritation (H335). Handle with appropriate personal protective equipment, including a dust mask type N95, eyeshields, face shields, and gloves, in a well-ventilated area. Avoid breathing dust.
Is 4-Nitrophenyl isothiocyanate a controlled substance?
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The provided data does not indicate that 4-Nitrophenyl isothiocyanate is a controlled substance. It is classified under UN 3335.
How is 4-Nitrophenyl isothiocyanate shipped or exported?
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As a global supplier and exporter of fine chemicals since 1998, Tech Serve Solutions adheres to all relevant shipping and export regulations for chemical compounds like 4-Nitrophenyl isothiocyanate.
How can I request a quote or sample of 4-Nitrophenyl isothiocyanate?
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To request a quote or sample, please contact the Tech Serve Solutions sales team through the website or designated contact channels, providing the product name and CAS number (2131-61-5).
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