3,5-Bis(trifluoromethyl)phenylacetic acid

Name: 3,5-Bis(trifluoromethyl)phenylacetic acid
Brand: Vaqora Chemicals
SKU: VQ-038596

About 3,5-Bis(trifluoromethyl)phenylacetic acid

3,5-Bis(trifluoromethyl)phenylacetic acid is an impurity of Netupitant carrying the CAS registry number 85068-33-3. Its molecular formula is C10H6F6O2 and its molecular weight is 272.14 g/mol. The IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid. Common synonyms include 2-(3,5-Bis(trifluoromethyl)phenyl)acetic Acid and Benzeneacetic acid, 3,5-bis(trifluoromethyl)-.

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.

This Netupitant impurity supports analytical method development and validation (AMV), batch release testing and the impurity sections of ANDA and DMF filings. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies 3,5-Bis(trifluoromethyl)phenylacetic acid in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

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

Industries

Related to Netupitant

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

Netupitant impurities

Specifications & identifiers

Chemical identifiers
Product name	3,5-Bis(trifluoromethyl)phenylacetic acid
Catalogue No.	VQ-038596
CAS Number	85068-33-3
IUPAC name	2-[3,5-bis(trifluoromethyl)phenyl]acetic acid
Molecular formula	C₁₀H₆F₆O₂
Molecular weight	272.14 g/mol
Exact mass	272.0272
Grade	Reference Standard
HSN code	38229090
InChIKey	PAWSKKHEEYTXSA-UHFFFAOYSA-N
SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC(=O)O
PubChem CID	123587

Physical properties
Physical form	Solid
LogP (XLogP3)	3.2
H-bond donors / acceptors	1 / 8
TPSA	37.3 Å²
Synonyms	2-(3,5-Bis(trifluoromethyl)phenyl)acetic Acid, Benzeneacetic acid, 3,5-bis(trifluoromethyl)-, 3,5-bis(trifluoromethyl)benzeneacetic acid, 3,5-di-(trifluoromethyl)-phenylacetic acid, 2-methyl-4H-3-thia, 3,5-bis(triflouromethyl)phenylacetic acid, 3,5-bis(trifluoromethyl) benzeneacetic 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-Bis(trifluoromethyl)phenylacetic acid?

The CAS Registry Number of 3,5-Bis(trifluoromethyl)phenylacetic acid is 85068-33-3. It is also known as 2-(3,5-Bis(trifluoromethyl)phenyl)acetic Acid, Benzeneacetic acid, 3,5-bis(trifluoromethyl)-, 3,5-bis(trifluoromethyl)benzeneacetic acid.

What is the molecular formula and molecular weight of 3,5-Bis(trifluoromethyl)phenylacetic acid?

3,5-Bis(trifluoromethyl)phenylacetic acid has the molecular formula C10H6F6O2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid.

What is 3,5-Bis(trifluoromethyl)phenylacetic acid used for?

3,5-Bis(trifluoromethyl)phenylacetic acid is supplied as a characterised reference material related to Netupitant. 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-Bis(trifluoromethyl)phenylacetic acid can I order?

We supply 3,5-Bis(trifluoromethyl)phenylacetic 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-Bis(trifluoromethyl)phenylacetic acid?

Yes. Every lot of 3,5-Bis(trifluoromethyl)phenylacetic 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-Bis(trifluoromethyl)phenylacetic acid be shipped internationally?

Yes. 3,5-Bis(trifluoromethyl)phenylacetic 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.