3-Fluorobenzotrifluoride, 99%

About 3-Fluorobenzotrifluoride, 99%

3-Fluorobenzotrifluoride is a fluorinated building block carrying the CAS registry number 401-80-9 at a purity of 99%. Formula C7H4F4, molecular weight 164.1 g/mol. Systematically, it is named 1-fluoro-3-(trifluoromethyl)benzene. Alternative names: α,α,α,3-Tetrafluorotoluene and alpha,alpha,alpha,3-Tetrafluorotoluene.

The material typically appears as a colourless to yellow liquid. Reported physical data include a boiling point of 101-102 °C and a density of 1.302 g/mL at 25 °C. Store in a cool, well-ventilated place, away from sources of ignition, with the container tightly sealed. It carries the GHS signal word “Danger” with 4 hazard statements. Review the Safety Data Sheet before use.

Key uses span solvent and extraction work and organic synthesis. Our customers for this product work in pharmaceutical manufacturing, academic and industrial research and agrochemical production.

Available in 25 g, 250 g and 5 x 1 kg packs, 3-Fluorobenzotrifluoride is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

Solvent & extraction work
Organic synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	3-Fluorobenzotrifluoride, 99%
Catalogue No.	VQ-010625
CAS Number	401-80-9
IUPAC name	1-fluoro-3-(trifluoromethyl)benzene
Molecular formula	C₇H₄F₄
Molecular weight	164.1 g/mol
Exact mass	164.0249
Purity / assay	99%
HSN code	29039990
InChIKey	GBOWGKOVMBDPJF-UHFFFAOYSA-N
SMILES	C1=CC(=CC(=C1)F)C(F)(F)F
PubChem CID	67867

Physical properties
Physical form	Liquid
Appearance	Colourless to yellow liquid
Boiling point	101-102 °C
Density	1.302 g/mL at 25 °C
LogP (XLogP3)	3.4
H-bond donors / acceptors	0 / 4
TPSA	0 Å²
Synonyms	α,α,α,3-Tetrafluorotoluene, alpha,alpha,alpha,3-Tetrafluorotoluene, Trifluoromethyl-3-fluorobenzene, 3-Fluoro(trifluoromethyl)benzene, 1-Fluoro-3-(trifluoro-methyl)benzene, m,alpha,alpha,alpha-Tetrafluorotoluene, .alpha.,.alpha.,.alpha.,3-Tetrafluorotoluene, m,.alpha.,.alpha.,.alpha.-Tetrafluorotoluene, Toluene, .alpha.,.alpha.,.alpha.-m-tetrafluoro-, Toluene, m,.alpha.,.alpha.,.alpha.-tetrafluoro-, Toluene, alpha,alpha,alpha-m-tetrafluoro-, Toluene, m,alpha,alpha,alpha-tetrafluoro-

Safety & hazard information (GHS)

Flammable

Harmful / irritant

Signal word: Danger

Hazard statements

H225Highly flammable liquid and vapor
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264, P264 + P265, P271, P280, P302 + P352, P303 + P361 + P353, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P337 + P317, P362 + P364, P370 + P378, P403 + P233, P403 + P235, P405

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 3-Fluorobenzotrifluoride, 99%?

The CAS Registry Number of 3-Fluorobenzotrifluoride, 99% is 401-80-9. It is also known as α,α,α,3-Tetrafluorotoluene, alpha,alpha,alpha,3-Tetrafluorotoluene, Trifluoromethyl-3-fluorobenzene.

What is the molecular formula and molecular weight of 3-Fluorobenzotrifluoride, 99%?

3-Fluorobenzotrifluoride, 99% has the molecular formula C7H4F4 and a molecular weight of 164.1 g/mol. Its IUPAC name is 1-fluoro-3-(trifluoromethyl)benzene.

Which grade and pack sizes of 3-Fluorobenzotrifluoride, 99% can I order?

We supply 3-Fluorobenzotrifluoride, 99% in (99%) grade, in 25 g, 250 g, 5 x 1 kg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 3-Fluorobenzotrifluoride, 99%?

Yes. Every lot of 3-Fluorobenzotrifluoride, 99% is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 3-Fluorobenzotrifluoride, 99% be shipped internationally?

Yes. 3-Fluorobenzotrifluoride, 99% is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.