3-Nitrobenzotrifluoride

Name: 3-Nitrobenzotrifluoride
Brand: Vaqora Chemicals
SKU: VQ-039173

About 3-Nitrobenzotrifluoride

Vaqora Chemicals supplies 3-Nitrobenzotrifluoride, an impurity of Cinacalcet registered under CAS number 98-46-4. Its molecular formula is C7H4F3NO2 and its molecular weight is 191.11 g/mol. The IUPAC name is 1-nitro-3-(trifluoromethyl)benzene. It is also known as m-Nitrobenzotrifluoride or m-Nitrotrifluorotoluene.

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.

As a characterised impurity of Cinacalcet, 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 Cinacalcet

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

Cinacalcet impurities

Specifications & identifiers

Chemical identifiers
Product name	3-Nitrobenzotrifluoride
Catalogue No.	VQ-039173
CAS Number	98-46-4
IUPAC name	1-nitro-3-(trifluoromethyl)benzene
Molecular formula	C₇H₄F₃NO₂
Molecular weight	191.11 g/mol
Exact mass	191.0194
Grade	Reference Standard
HSN code	38229090
InChIKey	WHNAMGUAXHGCHH-UHFFFAOYSA-N
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F
PubChem CID	7386

Physical properties
Physical form	Solid
LogP (XLogP3)	2.6
H-bond donors / acceptors	0 / 5
TPSA	45.8 Å²
Synonyms	m-Nitrobenzotrifluoride, m-Nitrotrifluorotoluene, 3-(Trifluoromethyl)nitrobenzene, Benzene, 1-nitro-3-(trifluoromethyl)-, 1,3-Nitrobenzotrifluoride, 3-Trifluoromethylnitrobenzene, m-Nitrotrifluortoluol, 3-Nitro-alpha,alpha,alpha-trifluorotoluene, alpha,alpha,alpha-Trifluoro-3-nitrotoluene, alpha,alpha,alpha-Trifluoronitrotoluene, alpha,alpha,alpha-Trifluoro-m-nitrotoluene, Toluene, alpha,alpha,alpha-trifluoro-m-nitro-

Safety & hazard information (GHS)

Toxic

Harmful / irritant

Signal word: Danger

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H330Fatal if inhaled
H335May cause respiratory irritation

Precautionary statements: P260, P261, P264, P264 + P265, P270, P271, P280, P284, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P316, P319, P320, 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-Nitrobenzotrifluoride?

The CAS Registry Number of 3-Nitrobenzotrifluoride is 98-46-4. It is also known as m-Nitrobenzotrifluoride, m-Nitrotrifluorotoluene, 3-(Trifluoromethyl)nitrobenzene.

What is the molecular formula and molecular weight of 3-Nitrobenzotrifluoride?

3-Nitrobenzotrifluoride has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 1-nitro-3-(trifluoromethyl)benzene.

What is 3-Nitrobenzotrifluoride used for?

3-Nitrobenzotrifluoride 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-Nitrobenzotrifluoride can I order?

We supply 3-Nitrobenzotrifluoride 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-Nitrobenzotrifluoride?

Yes. Every lot of 3-Nitrobenzotrifluoride 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-Nitrobenzotrifluoride be shipped internationally?

Yes. 3-Nitrobenzotrifluoride 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.