3-Methylbenzotrifluoride
3-Methylbenzotrifluoride (CAS: 401-79-6), with the chemical formula CH3C6H4CF3 and a molecular weight of 160.14 g/mol, is a valuable halogenated hydrocarbon building block. This compound is frequently utilised in organic synthesis for the introduction of trifluoromethyl-substituted aromatic moieties. Its distinct chemical properties make it a useful intermediate in the development of pharmaceuticals and agrochemicals, where the trifluoromethyl group can enhance metabolic stability and lipophilicity. Tech Serve Solutions supplies this chemical with an assay of 98%.
- IUPAC
- α,α,α-Trifluoro-m-xylene
Pharmaceutical Intermediate
3-Methylbenzotrifluoride serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs). The trifluoromethyl group can significantly impact the pharmacokinetic properties of drug molecules, often improving bioavailability and metabolic resistance.
Agrochemical Synthesis
This compound is employed in the creation of novel pesticides, herbicides, and fungicides. The inclusion of the CF3 group in agrochemicals can lead to enhanced efficacy and altered environmental persistence.
Organic Building Block
As a versatile building block in organic chemistry, 3-Methylbenzotrifluoride is used in various coupling reactions and functional group transformations. It allows for the precise introduction of the m-tolyl-CF3 motif into complex molecular structures.
Material Science Research
It can be explored in the development of specialised polymers or advanced materials where fluorinated aromatic units confer unique thermal or chemical resistance properties.
| Molecular weight | 160.14 |
|---|---|
| Linear formula | CH3C6H4CF3 |
| Assay | 98% |
| Boiling point | 130 °C(lit.) |
| Density | 1.148 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.427(lit.) |
Hazard statements
- H226Flammable liquid and vapour
- 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, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 27 °C / 80.6 °F |
| Transport (UN / ADR) | UN 1993C 3 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 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 3-Methylbenzotrifluoride primarily used for?
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3-Methylbenzotrifluoride is primarily used as a building block in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, owing to the unique properties conferred by the trifluoromethyl group.
What is the CAS number and chemical formula for 3-Methylbenzotrifluoride?
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The CAS number is 401-79-6 and the chemical formula is CH3C6H4CF3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-Methylbenzotrifluoride with a purity of 98% (assay). We do not represent this product as USP, BP, or EP grade.
What are the main safety hazards associated with 3-Methylbenzotrifluoride?
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3-Methylbenzotrifluoride is a flammable liquid and vapour (H226), causes skin irritation (H315), causes serious eye irritation (H319), and may cause respiratory irritation (H335). Appropriate personal protective equipment, including eye shields, gloves, and respiratory protection, should be used when handling this chemical.
How is 3-Methylbenzotrifluoride packed, shipped, and exported?
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Tech Serve Solutions packs and ships 3-Methylbenzotrifluoride in compliance with all relevant international regulations for hazardous materials. We are experienced global exporters of fine chemicals.
How can I request a sample or obtain a quote for 3-Methylbenzotrifluoride?
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Please contact our sales department via the website or direct email to request a sample or obtain a quotation for 3-Methylbenzotrifluoride.
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