4-Isothiocyanato-2-(trifluoromethyl)benzoic a… 1705583-65-8

About 4-Isothiocyanato-2-(trifluoromethyl)benzoic acid

4-Isothiocyanato-2-(trifluoromethyl)benzoic acid is an impurity of Enzalutamide carrying the CAS registry number 1705583-65-8. With the molecular formula C9H4F3NO2S, it has a molar mass of 247.2 g/mol.

It is supplied as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Good laboratory practice and suitable PPE are recommended during handling.

Pharmaceutical QC and development laboratories use this impurity standard of Enzalutamide to develop and validate HPLC methods, to set specification limits and to document impurity profiles in ANDA and DMF submissions. Typical end-use sectors are 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 Enzalutamide

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

Enzalutamide impurities

Specifications & identifiers

Chemical identifiers
Product name	4-Isothiocyanato-2-(trifluoromethyl)benzoic acid
Catalogue No.	VQ-030501
CAS Number	1705583-65-8
IUPAC name	4-isothiocyanato-2-(trifluoromethyl)benzoic acid
Molecular formula	C₉H₄F₃NO₂S
Molecular weight	247.2 g/mol
Exact mass	246.9915
Grade	Reference Standard
HSN code	38229090
InChIKey	XTMDULMCADYWAX-UHFFFAOYSA-N
SMILES	C1=CC(=C(C=C1N=C=S)C(F)(F)F)C(=O)O
PubChem CID	152451126

Physical properties
Physical form	Solid
LogP (XLogP3)	3.7
H-bond donors / acceptors	1 / 7
TPSA	81.8 Å²

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 4-Isothiocyanato-2-(trifluoromethyl)benzoic acid?

The CAS Registry Number of 4-Isothiocyanato-2-(trifluoromethyl)benzoic acid is 1705583-65-8.

What is the molecular formula and molecular weight of 4-Isothiocyanato-2-(trifluoromethyl)benzoic acid?

4-Isothiocyanato-2-(trifluoromethyl)benzoic acid has the molecular formula C9H4F3NO2S and a molecular weight of 247.2 g/mol. Its IUPAC name is 4-isothiocyanato-2-(trifluoromethyl)benzoic acid.

What is 4-Isothiocyanato-2-(trifluoromethyl)benzoic acid used for?

4-Isothiocyanato-2-(trifluoromethyl)benzoic acid is supplied as a characterised reference material related to Enzalutamide. 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 4-Isothiocyanato-2-(trifluoromethyl)benzoic acid can I order?

We supply 4-Isothiocyanato-2-(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 4-Isothiocyanato-2-(trifluoromethyl)benzoic acid?

Yes. Every lot of 4-Isothiocyanato-2-(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 4-Isothiocyanato-2-(trifluoromethyl)benzoic acid be shipped internationally?

Yes. We export 4-Isothiocyanato-2-(trifluoromethyl)benzoic acid worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.