3,5-Di(trifluoromethyl)benzoic Acid

Name: 3,5-Di(trifluoromethyl)benzoic Acid
Brand: Vaqora Chemicals
SKU: VQ-027312

About 3,5-Di(trifluoromethyl)benzoic Acid

Listed under CAS 725-89-3, 3,5-Di(trifluoromethyl)benzoic Acid is an impurity of Aprepitant available from Vaqora Chemicals. Its molecular formula is C9H4F6O2 and its molecular weight is 258.12 g/mol. Its systematic (IUPAC) name is 3,5-bis(trifluoromethyl)benzoic acid. Alternative names: Bis(3,5-trifluoromethyl)benzoic acid and 3,5-bis(trifluoromethyl) benzoic acid.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

Pharmaceutical QC and development laboratories use this impurity standard of Aprepitant to develop and validate HPLC methods, to set specification limits and to document impurity profiles in ANDA and DMF submissions. It is used across pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Aprepitant

View every impurity, metabolite and intermediate we list for Aprepitant.

Aprepitant impurities

Specifications & identifiers

Chemical identifiers
Product name	3,5-Di(trifluoromethyl)benzoic Acid
Catalogue No.	VQ-027312
CAS Number	725-89-3
IUPAC name	3,5-bis(trifluoromethyl)benzoic acid
Molecular formula	C₉H₄F₆O₂
Molecular weight	258.12 g/mol
Exact mass	258.0115
Grade	Reference Standard
HSN code	38229090
InChIKey	HVFQJWGYVXKLTE-UHFFFAOYSA-N
SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)O
PubChem CID	12889

Physical properties
Physical form	Solid
LogP (XLogP3)	3.8
H-bond donors / acceptors	1 / 8
TPSA	37.3 Å²
Synonyms	Bis(3,5-trifluoromethyl)benzoic acid, 3,5-bis(trifluoromethyl) benzoic acid, 3.5-Bis(trifluoromethyl)benzoic acid, Cyclohexanecarboxaldehyde, 1-propyl-, 3,5-bistrifluoromethylbenzoic acid, 3,5-bis-trifluoromethyl-benzoic acid, 3,5-bis trifluoro methyl benzoic acid, 3,5-bis(trifluoromethyl)-benzoic acid, 3,5-bis-(trifluoromethyl)benzoic acid, 3,5-bis-(trifluoromethyl)-benzoic acid

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P271, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

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 3,5-Di(trifluoromethyl)benzoic Acid?

The CAS Registry Number of 3,5-Di(trifluoromethyl)benzoic Acid is 725-89-3. It is also known as Bis(3,5-trifluoromethyl)benzoic acid, 3,5-bis(trifluoromethyl) benzoic acid, 3.5-Bis(trifluoromethyl)benzoic acid.

What is the molecular formula and molecular weight of 3,5-Di(trifluoromethyl)benzoic Acid?

3,5-Di(trifluoromethyl)benzoic Acid has the molecular formula C9H4F6O2 and a molecular weight of 258.12 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)benzoic acid.

What is 3,5-Di(trifluoromethyl)benzoic Acid used for?

3,5-Di(trifluoromethyl)benzoic Acid is supplied as a characterised reference material related to Aprepitant. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 3,5-Di(trifluoromethyl)benzoic Acid can I order?

We supply 3,5-Di(trifluoromethyl)benzoic Acid in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 3,5-Di(trifluoromethyl)benzoic Acid?

Yes. Every lot of 3,5-Di(trifluoromethyl)benzoic Acid 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 3,5-Di(trifluoromethyl)benzoic Acid be shipped internationally?

Yes. 3,5-Di(trifluoromethyl)benzoic Acid 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.