4-Isothiocyanato-2-(trifluoromethyl)benzonitr… 143782-23-4

Name: 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile
Brand: Vaqora Chemicals
SKU: VQ-013113

About 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile (CAS 143782-23-4) is a process intermediate or related compound of Enzalutamide offered by Vaqora Chemicals. Its molecular formula is C9H3F3N2S and its molecular weight is 228.2 g/mol. Alternative names: 4-Cyano-3-trifluoromethylphenylisothiocyanate and Enzalutamide ITS-1.

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 “Danger”, so appropriate gloves, eye protection and ventilation are recommended.

Process chemists and analysts use it when developing synthetic routes to Enzalutamide, tracking process-related impurities and validating analytical methods. 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 Enzalutamide

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

Enzalutamide impurities

Specifications & identifiers

Chemical identifiers
Product name	4-Isothiocyanato-2-(trifluoromethyl)benzonitrile
Catalogue No.	VQ-013113
CAS Number	143782-23-4
IUPAC name	4-isothiocyanato-2-(trifluoromethyl)benzonitrile
Molecular formula	C₉H₃F₃N₂S
Molecular weight	228.2 g/mol
Exact mass	227.9969
Grade	Reference Standard
HSN code	2933
InChIKey	TYXKOMAQTWRDCR-UHFFFAOYSA-N
SMILES	C1=CC(=C(C=C1N=C=S)C(F)(F)F)C#N
PubChem CID	11615540

Physical properties
Physical form	Solid
LogP (XLogP3)	3.9
H-bond donors / acceptors	0 / 6
TPSA	68.2 Å²
Synonyms	4-Cyano-3-trifluoromethylphenylisothiocyanate, 4-Isothiocyanato-2-trifluoromethylbenzonitrile, 4-Thioisocyanato-2-(trifluoromethyl)benzonitrile, Benzonitrile, 4-isothiocyanato-2-(trifluoromethyl)-, 4-cyano-3-(trifluoromethyl)phenyl isothiocyanate, 4-cyano-3-(trifluoromethyl)phenylisothiocyanate, Enzalutamide ITS-1, CS-M0346, 4-isothiocyanato-2-trifluoromethyl benzonitrile, 4-Isothiocyanato-2-trifluoromethyl-benzonitrile, 2-(trifluoromethyl)-4-isothiocyanatobenzonitrile

Safety & hazard information (GHS)

Harmful / irritant

Health hazard

Environmental hazard

Signal word: Danger

Hazard statements

H302+H312+H332Harmful if swallowed, in contact with skin or if inhaled
H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H332Harmful if inhaled
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335May cause respiratory irritation
H341Suspected of causing genetic defects
H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects

Precautionary statements: P203, P233, P260, P261, P264, P264 + P265, P270, P271, P272, P273, P280, P284, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P317, P318, P319, P321, P330, P332 + P317, P333 + P317, P337 + P317

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 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile?

The CAS Registry Number of 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile is 143782-23-4. It is also known as 4-Cyano-3-trifluoromethylphenylisothiocyanate, 4-Isothiocyanato-2-trifluoromethylbenzonitrile, 4-Thioisocyanato-2-(trifluoromethyl)benzonitrile.

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

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile has the molecular formula C9H3F3N2S and a molecular weight of 228.2 g/mol. Its IUPAC name is 4-isothiocyanato-2-(trifluoromethyl)benzonitrile.

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

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile 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)benzonitrile can I order?

We supply 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile 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 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile?

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

Yes. 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile 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.