3-(Trifluoromethyl)phenyl Isocyanate

Name: 3-(Trifluoromethyl)phenyl Isocyanate
Brand: Vaqora Chemicals
SKU: VQ-039172

About 3-(Trifluoromethyl)phenyl Isocyanate

3-(Trifluoromethyl)phenyl Isocyanate (CAS 329-01-1) is an impurity of Sorafenib offered by Vaqora Chemicals. Its molecular formula is C8H4F3NO and its molecular weight is 187.12 g/mol. Its systematic (IUPAC) name is 1-isocyanato-3-(trifluoromethyl)benzene. It is also known as Benzene, 1-isocyanato-3-(trifluoromethyl)- or m-(Trifluoromethyl)phenyl isocyanate.

The product is provided 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.

Pharmaceutical QC and development laboratories use this impurity standard of Sorafenib 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 Sorafenib

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

Sorafenib impurities

Specifications & identifiers

Chemical identifiers
Product name	3-(Trifluoromethyl)phenyl Isocyanate
Catalogue No.	VQ-039172
CAS Number	329-01-1
IUPAC name	1-isocyanato-3-(trifluoromethyl)benzene
Molecular formula	C₈H₄F₃NO
Molecular weight	187.12 g/mol
Exact mass	187.0245
Grade	Reference Standard
HSN code	38229090
InChIKey	SXJYSIBLFGQAND-UHFFFAOYSA-N
SMILES	C1=CC(=CC(=C1)N=C=O)C(F)(F)F
PubChem CID	9483

Physical properties
Physical form	Solid
LogP (XLogP3)	4.1
H-bond donors / acceptors	0 / 5
TPSA	29.4 Å²
Synonyms	Benzene, 1-isocyanato-3-(trifluoromethyl)-, alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate, m-(Trifluoromethyl)phenyl isocyanate, alpha,alpha,alpha-Trifluoro-3-tolyl isocyanate, 1-isocyanato-3-trifluoromethylbenzene, (alpha,alpha,alpha-Trifluoro-m-tolyl) isocyanate, ISOCYANIC ACID, (m-TRIFLUOROMETHYLPHENYL) ESTER, Isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-m-tolyl ester, .alpha.,.alpha.,.alpha.-Trifluoro-3-tolyl isocyanate, .alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl isocyanate, Isocyanic acid, alpha,alpha,alpha-trifluoro-m-tolyl ester, Isocyanic acid m-trifluoromethylphenyl ester

Safety & hazard information (GHS)

Flammable

Toxic

Harmful / irritant

Health hazard

Signal word: Danger

Hazard statements

H226Flammable liquid and vapor
H302Harmful if swallowed
H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H330Fatal if inhaled
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335May cause respiratory irritation

Precautionary statements: P210, P233, P240, P241, P242, P243, P260, P261, P264, P264 + P265, P270, P271, P272, P280, P284, P301 + P317, P302 + P352, P303 + P361 + P353, P304 + P340, P305 + P351 + P338, P316, P319, P320, P321

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-(Trifluoromethyl)phenyl Isocyanate?

The CAS Registry Number of 3-(Trifluoromethyl)phenyl Isocyanate is 329-01-1. It is also known as Benzene, 1-isocyanato-3-(trifluoromethyl)-, alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate, m-(Trifluoromethyl)phenyl isocyanate.

What is the molecular formula and molecular weight of 3-(Trifluoromethyl)phenyl Isocyanate?

3-(Trifluoromethyl)phenyl Isocyanate has the molecular formula C8H4F3NO and a molecular weight of 187.12 g/mol. Its IUPAC name is 1-isocyanato-3-(trifluoromethyl)benzene.

What is 3-(Trifluoromethyl)phenyl Isocyanate used for?

3-(Trifluoromethyl)phenyl Isocyanate is supplied as a characterised reference material related to Sorafenib. 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-(Trifluoromethyl)phenyl Isocyanate can I order?

We supply 3-(Trifluoromethyl)phenyl Isocyanate 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-(Trifluoromethyl)phenyl Isocyanate?

Yes. Every lot of 3-(Trifluoromethyl)phenyl Isocyanate 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-(Trifluoromethyl)phenyl Isocyanate be shipped internationally?

Yes. 3-(Trifluoromethyl)phenyl Isocyanate 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.