3-Nitrobenzotrifluoride
3-Nitrobenzotrifluoride (CAS: 98-46-4), with the molecular formula O2NC6H4CF3 and a molar mass of 191.11 g/mol, is a fluorinated nitroaromatic compound. It serves as a versatile building block in organic synthesis, particularly in the preparation of complex molecules for the pharmaceutical and agrochemical industries. Its trifluoromethyl and nitro functional groups allow for diverse chemical transformations, making it a valuable intermediate.
- IUPAC
- 3-Nitro-α,α,α-trifluorotoluene
- Synonyms
- 3-Nitro-alpha,alpha,alpha-trifluorotoluene
Pharmaceutical Intermediate
Utilised in the synthesis of active pharmaceutical ingredients (APIs) where the trifluoromethyl and nitro moieties are crucial for molecular structure and biological activity.
Agrochemical Synthesis
A key building block for developing novel herbicides, insecticides, and fungicides, leveraging its unique chemical properties for targeted pest control.
Organic Synthesis Reagent
Employed as a precursor in various organic reactions, enabling the introduction of the 3-nitrobenzotrifluoride fragment into larger molecular frameworks.
Material Science
Investigated for potential use in the development of specialty polymers and advanced materials due to its specific electronic and structural characteristics.
| Molecular weight | 191.11 |
|---|---|
| Linear formula | O2NC6H4CF3 |
| Assay | 97% |
| Boiling point | 200-205 °C(lit.) |
| Density | 1.436 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.472(lit.) |
Hazard statements
- H302Harmful if swallowed
- H315Causes skin irritation
- H319Causes serious eye irritation
- H330Fatal if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P260Do not breathe dust, fume, gas, mist, vapours or spray
- P284Wear respiratory protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 88 °C / 190.4 °F |
| Transport (UN / ADR) | UN 2306 6.1 / PGII |
| Water hazard class (WGK, DE) | 2 |
| Hazard codes (EU) | T+ |
| Risk statements (R) | 22-26-36/37/38 |
| Safety statements (S) | 26-28-36/37-45 |
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-Nitrobenzotrifluoride used for?
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3-Nitrobenzotrifluoride is primarily used as a building block in organic synthesis, notably for the preparation of pharmaceutical and agrochemical compounds. It also finds applications in material science.
What is the CAS number and chemical formula for 3-Nitrobenzotrifluoride?
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The CAS number is 98-46-4 and the chemical formula is O2NC6H4CF3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-Nitrobenzotrifluoride with an assay of 97%. We do not represent this product as USP, BP, or EP grade.
How should 3-Nitrobenzotrifluoride be handled safely?
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Handling requires significant caution due to severe hazards. It is toxic if inhaled, harmful if swallowed, and causes skin and serious eye irritation. Use in a well-ventilated area or fume hood with appropriate personal protective equipment, including eyeshields, faceshields, gloves, and a full-face respirator.
How is 3-Nitrobenzotrifluoride packed, shipped, and exported?
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3-Nitrobenzotrifluoride is packed according to stringent safety regulations for hazardous materials. It is classified under UN 2306, hazard class 6.1, packing group II, and is available for global export.
How can I request a sample or quote for 3-Nitrobenzotrifluoride?
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To request a sample or a quote, please contact our sales department through the website or by telephone, providing your specific requirements.
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