Pentafluoronitrobenzene
Pentafluoronitrobenzene (CAS: 880-78-4), with the molecular formula C6F5NO2 and a molar mass of 213.06 g/mol, is a fluorinated aromatic compound. This chemical serves as a valuable building block in organic synthesis. It has been utilised in the preparation of specialised reagents, such as photoaffinity labels, contributing to advancements in biochemical research and chemical methodology.

Synthesis of Photoaffinity Reagents
Pentafluoronitrobenzene has been employed in the synthesis of <i>p</i>-azidotetrafluoroaniline. This derivative functions as a novel photoaffinity reagent, useful for investigating molecular interactions in biological systems.
Fluorinated Building Block
As a highly fluorinated aromatic compound, pentafluoronitrobenzene acts as a versatile building block in organic chemistry. Its structure allows for diverse synthetic transformations, enabling the creation of complex fluorinated molecules.
Chemical Research and Development
This compound finds application in research laboratories for the development of new synthetic routes and novel chemical entities. Its reactivity profile makes it suitable for introducing pentafluoronitrophenyl groups into various molecular frameworks.
| Molecular weight | 213.06 |
|---|---|
| Linear formula | C6F5NO2 |
| Assay | 98% |
| Boiling point | 158-161 °C(lit.) |
| Density | 1.656 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.447(lit.) |
| Application | Pentafluoronitrobenzene has been used in the preparation of p-azidotetrafluoroaniline, a new photoaffinity reagent1. |

Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 91 °C / 195.8 °F |
| Transport (UN / ADR) | NA 1993 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39 |
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 Pentafluoronitrobenzene used for?
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Pentafluoronitrobenzene is primarily used as a building block in organic synthesis, including the preparation of photoaffinity reagents and other complex fluorinated molecules for research and development purposes.
What are the CAS number and chemical formula for Pentafluoronitrobenzene?
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The CAS number for Pentafluoronitrobenzene is 880-78-4, and its chemical formula is C6F5NO2.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Pentafluoronitrobenzene with an assay of 98%. We do not represent this product as USP, BP, EP, or other pharmacopoeial grades.
How should Pentafluoronitrobenzene be handled safely?
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Pentafluoronitrobenzene is a Warning substance that causes skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335). Handle with appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator. Ensure adequate ventilation.
Is Pentafluoronitrobenzene available for export?
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Yes, Tech Serve Solutions is a global supplier and exporter of fine chemicals, including Pentafluoronitrobenzene.
How can I request a quote or sample?
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Please contact our sales team through the website or by phone to request a quote or sample of Pentafluoronitrobenzene.
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