2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpr… 289686-70-0

Name: 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid
Brand: Vaqora Chemicals
SKU: VQ-025512

About 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid

Vaqora Chemicals supplies 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid, an impurity of Netupitant registered under CAS number 289686-70-0. Formula C12H10F6O2, molecular weight 300.2 g/mol. It is also known as Netupitant ITS-5.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. 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. It is used across pharmaceutical manufacturing and academic and industrial research.

We offer 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers 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	2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid
Catalogue No.	VQ-025512
CAS Number	289686-70-0
IUPAC name	2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid
Molecular formula	C₁₂H₁₀F₆O₂
Molecular weight	300.2 g/mol
Exact mass	300.0585
Grade	Reference Standard
HSN code	38229090
InChIKey	ORLKRFYFNMCQIG-UHFFFAOYSA-N
SMILES	CC(C)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)O
PubChem CID	9835948

Physical properties
Physical form	Solid
LogP (XLogP3)	4.1
H-bond donors / acceptors	1 / 8
TPSA	37.3 Å²
Synonyms	Benzeneacetic acid, alpha,alpha-dimethyl-3,5-bis(trifluoromethyl)-, 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropionic acid, 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropionic acid, alpha,alpha-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid, Netupitant ITS-5, 2-(3,5-Bis-trifluoromethyl-phenyl)-2-methyl-propionic acid, 2-(3,5-bis-trifluoromethylphenyl)-2-methyl-propionic acid, 2-(3,5-Bis-trifluoromethylphenyl)-2-methylpropionic acid, 2-(3,5-bistrifluoromethyl-phenyl)-2-methyl propionic acid

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, 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 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid?

The CAS Registry Number of 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid is 289686-70-0. It is also known as Benzeneacetic acid, alpha,alpha-dimethyl-3,5-bis(trifluoromethyl)-, 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropionic acid, 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropionic acid.

What is the molecular formula and molecular weight of 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid?

2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid has the molecular formula C12H10F6O2 and a molecular weight of 300.2 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid.

What is 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid used for?

2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic 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 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid can I order?

We supply 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic 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 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid?

Yes. Every lot of 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic 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 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid be shipped internationally?

Yes. 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic 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.