3-[2-(Trifluoromethyl)phenyl]propionic acid

Name: 3-[2-(Trifluoromethyl)phenyl]propionic acid
Brand: Vaqora Chemicals
SKU: VQ-013005

About 3-[2-(Trifluoromethyl)phenyl]propionic acid

Vaqora Chemicals supplies 3-[2-(Trifluoromethyl)phenyl]propionic acid, a process intermediate or related compound of Cinacalcet registered under CAS number 94022-99-8. With the molecular formula C10H9F3O2, it has a molar mass of 218.17 g/mol. Its systematic (IUPAC) name is 3-[2-(trifluoromethyl)phenyl]propanoic acid. It is also known as 3-(2-Trifluoromethylphenyl)propanoic acid or 2-(Trifluoromethyl)benzenepropanoic acid.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

It is a process intermediate or related compound in the synthesis of Cinacalcet, useful for route development, impurity fate-and-purge studies and analytical method development. 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. This item is currently in stock for prompt dispatch.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development

Industries

Related to Cinacalcet

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

Cinacalcet impurities

Specifications & identifiers

Chemical identifiers
Product name	3-[2-(Trifluoromethyl)phenyl]propionic acid
Catalogue No.	VQ-013005
CAS Number	94022-99-8
IUPAC name	3-[2-(trifluoromethyl)phenyl]propanoic acid
Molecular formula	C₁₀H₉F₃O₂
Molecular weight	218.17 g/mol
Exact mass	218.0555
Grade	Reference Standard
InChIKey	YTDVNFDGHHHPEE-UHFFFAOYSA-N
SMILES	C1=CC=C(C(=C1)CCC(=O)O)C(F)(F)F
PubChem CID	15284809

Physical properties
Physical form	Solid
LogP (XLogP3)	2.6
H-bond donors / acceptors	1 / 5
TPSA	37.3 Å²
Synonyms	3-(2-Trifluoromethylphenyl)propanoic acid, 2-(Trifluoromethyl)benzenepropanoic acid, 3-(2-(trifluoromethyl)phenyl)propanoic acid, 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid, 2-(trifluoromethyl)hydrocinnamic acid, Benzenepropanoic acid, 2-(trifluoromethyl)-, 3-[2-(Trifluoromethyl)phenyl]propanoicacid, CS-M0242, 2-(2-carboxyethyl)benzotrifluoride, 3-[2-(trifluoromethyl)phenyl]propionic acid, 3-[o-(,,-trifluorotolyl)]propionic acid, 3-[2-(Trifluoromethyl)phenyl]propionic acid, 97%

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 3-[2-(Trifluoromethyl)phenyl]propionic acid?

The CAS Registry Number of 3-[2-(Trifluoromethyl)phenyl]propionic acid is 94022-99-8. It is also known as 3-(2-Trifluoromethylphenyl)propanoic acid, 2-(Trifluoromethyl)benzenepropanoic acid, 3-(2-(trifluoromethyl)phenyl)propanoic acid.

What is the molecular formula and molecular weight of 3-[2-(Trifluoromethyl)phenyl]propionic acid?

3-[2-(Trifluoromethyl)phenyl]propionic acid has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]propanoic acid.

What is 3-[2-(Trifluoromethyl)phenyl]propionic acid used for?

3-[2-(Trifluoromethyl)phenyl]propionic acid is supplied as a characterised reference material related to Cinacalcet. 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-[2-(Trifluoromethyl)phenyl]propionic acid can I order?

We supply 3-[2-(Trifluoromethyl)phenyl]propionic acid in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg, 250 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 3-[2-(Trifluoromethyl)phenyl]propionic acid?

Yes. Every lot of 3-[2-(Trifluoromethyl)phenyl]propionic 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-[2-(Trifluoromethyl)phenyl]propionic acid be shipped internationally?

Yes. 3-[2-(Trifluoromethyl)phenyl]propionic 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.