3-Nitrobenzotrifluoride

Name: 3-Nitrobenzotrifluoride
Brand: Zemixal
SKU: ZX-034276

Reference StandardAvailable on request

3-Nitrobenzotrifluoride (CAS 98-46-4) supplier Zemixal: C7H4F3NO2, COA and SDS with every lot, worldwide shipping. Part of our API Impurities range.

Pack sizes

3-Nitrobenzotrifluoride chemical structure

CAS number98-46-4

FormulaC₇H₄F₃NO₂

Molar mass191.11 g/mol

Physical formSolid

HS code38229090

InChIKeyWHNAMGUAXHGCHH-UHFFFAOYSA-N

IUPAC name1-nitro-3-(trifluoromethyl)benzene

About 3-Nitrobenzotrifluoride

Analytical teams working on Cinacalcet use 3-Nitrobenzotrifluoride as a qualified comparison standard. Identity at a glance (Reference Standard): CAS 98-46-4, formula C7H4F3NO2 and molar mass 191.11 g/mol. It is handled as a solid.

Where it is used

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Handling and storage

Classified under GHS with signal word Danger and hazard statements H302, H315, H319 and H330. Read the SDS before first use.

Order it in 10 mg, 25 mg, 50 mg and 100 mg packs or ask for a bulk quotation. Each lot travels with a certificate of analysis with characterisation data. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Reference standards for Cinacalcet

See every impurity, metabolite and related compound we list for this API.

Cinacalcet standards

Typical uses

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Applications

Pharmaceutical Manufacturing and QC Research Labs and Universities

Specifications and identifiers

Specifications of 3-Nitrobenzotrifluoride
Product name	3-Nitrobenzotrifluoride
Catalogue number	ZX-034276
CAS number	98-46-4
IUPAC name	1-nitro-3-(trifluoromethyl)benzene
Molecular formula	C₇H₄F₃NO₂
Molar mass	191.11 g/mol
Exact mass	191.0194
Grade	Reference Standard
Physical form	Solid
XLogP3	2.6
H-bond donors / acceptors	0 / 5
Topological polar surface area	45.8 Å²
HS code	38229090
InChIKey	WHNAMGUAXHGCHH-UHFFFAOYSA-N
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F
PubChem CID	7386
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-

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

Acute toxicity

Irritant or harmful

Signal word Danger

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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of 3-Nitrobenzotrifluoride
10 mg	Quoted on request
25 mg	Quoted on request
50 mg	Quoted on request
100 mg	Quoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about 3-Nitrobenzotrifluoride

Which CAS number identifies 3-Nitrobenzotrifluoride?

3-Nitrobenzotrifluoride is registered under CAS 98-46-4. You may also see it listed as m-Nitrobenzotrifluoride, m-Nitrotrifluorotoluene, 3-(Trifluoromethyl)nitrobenzene. Our catalogue number for this item is ZX-034276.

What are the formula and molar mass of 3-Nitrobenzotrifluoride?

For 3-Nitrobenzotrifluoride, its formula is C7H4F3NO2 and its molar mass is 191.11 g/mol. The systematic (IUPAC) name is 1-nitro-3-(trifluoromethyl)benzene. InChIKey WHNAMGUAXHGCHH-UHFFFAOYSA-N lets you match it in any structure database.

How is 3-Nitrobenzotrifluoride used in pharmaceutical QC?

3-Nitrobenzotrifluoride is a characterised reference material linked to Cinacalcet. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.

What grade and pack sizes are available for 3-Nitrobenzotrifluoride?

This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.

Which documents come with 3-Nitrobenzotrifluoride?

Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.

Can Zemixal ship 3-Nitrobenzotrifluoride to my country?

Yes. Because 3-Nitrobenzotrifluoride is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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