4-(Trichloromethyl)benzonitrile

Name: 4-(Trichloromethyl)benzonitrile
Brand: Vaqora Chemicals
SKU: VQ-039963

About 4-(Trichloromethyl)benzonitrile

Vaqora Chemicals supplies 4-(Trichloromethyl)benzonitrile, an impurity of Betrixaban registered under CAS number 2179-45-5. The compound has the formula C8H4Cl3N, corresponding to a molecular weight of 220.5 g/mol. Common synonyms include p-cyanobenzotrichloride.

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. It carries the GHS signal word “Warning” with 6 hazard statements. Review the Safety Data Sheet before use.

As a characterised impurity of Betrixaban, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Our customers for this product work in 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 Betrixaban

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

Betrixaban impurities

Specifications & identifiers

Chemical identifiers
Product name	4-(Trichloromethyl)benzonitrile
Catalogue No.	VQ-039963
CAS Number	2179-45-5
IUPAC name	4-(trichloromethyl)benzonitrile
Molecular formula	C₈H₄Cl₃N
Molecular weight	220.5 g/mol
Exact mass	218.9409
Grade	Reference Standard
HSN code	38229090
InChIKey	KHBCTNHFESKSDC-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1C#N)C(Cl)(Cl)Cl
PubChem CID	285544

Physical properties
Physical form	Solid
LogP (XLogP3)	3.3
H-bond donors / acceptors	0 / 1
TPSA	23.8 Å²

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P317, 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 4-(Trichloromethyl)benzonitrile?

The CAS Registry Number of 4-(Trichloromethyl)benzonitrile is 2179-45-5. It is also known as p-cyanobenzotrichloride.

What is the molecular formula and molecular weight of 4-(Trichloromethyl)benzonitrile?

4-(Trichloromethyl)benzonitrile has the molecular formula C8H4Cl3N and a molecular weight of 220.5 g/mol. Its IUPAC name is 4-(trichloromethyl)benzonitrile.

What is 4-(Trichloromethyl)benzonitrile used for?

4-(Trichloromethyl)benzonitrile is supplied as a characterised reference material related to Betrixaban. 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-(Trichloromethyl)benzonitrile can I order?

We supply 4-(Trichloromethyl)benzonitrile 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-(Trichloromethyl)benzonitrile?

Yes. Every lot of 4-(Trichloromethyl)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-(Trichloromethyl)benzonitrile be shipped internationally?

Yes. 4-(Trichloromethyl)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.