4-Nitrophthalonitrile

Name: 4-Nitrophthalonitrile
Brand: Vaqora Chemicals
SKU: VQ-013124

About 4-Nitrophthalonitrile

Listed under CAS 31643-49-9, 4-Nitrophthalonitrile is a process intermediate or related compound of Febuxostat available from Vaqora Chemicals, specified at 99.69% purity. Its molecular formula is C8H3N3O2 and its molecular weight is 173.13 g/mol. Its systematic (IUPAC) name is 4-nitrobenzene-1,2-dicarbonitrile. Alternative names: 4-Nitro-1,2-benzenedicarbonitrile and 1,2-Dicyano-4-nitrobenzene.

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. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

Process chemists and analysts use it when developing synthetic routes to Febuxostat, tracking process-related impurities and validating analytical methods. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, 4-Nitrophthalonitrile is dispatched with a Certificate of Analysis (COA) to destinations 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 Febuxostat

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

Febuxostat impurities

Specifications & identifiers

Chemical identifiers
Product name	4-Nitrophthalonitrile
Catalogue No.	VQ-013124
CAS Number	31643-49-9
IUPAC name	4-nitrobenzene-1,2-dicarbonitrile
Molecular formula	C₈H₃N₃O₂
Molecular weight	173.13 g/mol
Exact mass	173.0225
Grade	Reference Standard
Purity / assay	99.69%
HSN code	2933
InChIKey	NTZMSBAAHBICLE-UHFFFAOYSA-N
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C#N)C#N
PubChem CID	97443

Physical properties
Physical form	Solid
LogP (XLogP3)	1.2
H-bond donors / acceptors	0 / 4
TPSA	93.4 Å²
Synonyms	4-Nitro-1,2-benzenedicarbonitrile, 1,2-Dicyano-4-nitrobenzene, 3,4-Dicyano-1-nitrobenzene, 3,4-Dicyanonitrobenzene, 4-Nitro-1,2-dicyanobenzene, 4-Nitro-1,2-phthalonitrile, 4-Nitro-o-benzenedinitrile, 5-Nitrobenzene-1,2-dicarbonitrile, 1,2-Benzenedicarbonitrile, 4-nitro-, Phthalonitrile, 4-nitro-, 5-Nitro-1,2-benzenedicarbonitrile, 4-Nitro-phthalonitrile

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

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

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, 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

Other grades of CAS 31643-49-9

4-Nitrophthalonitrile, 99%

CAS: 31643-49-9
Formula: C₈H₃N₃O₂
MW: 173.13 g/mol

VQ-000442

Frequently asked questions

What is the CAS number of 4-Nitrophthalonitrile?

The CAS Registry Number of 4-Nitrophthalonitrile is 31643-49-9. It is also known as 4-Nitro-1,2-benzenedicarbonitrile, 1,2-Dicyano-4-nitrobenzene, 3,4-Dicyano-1-nitrobenzene.

What is the molecular formula and molecular weight of 4-Nitrophthalonitrile?

4-Nitrophthalonitrile has the molecular formula C8H3N3O2 and a molecular weight of 173.13 g/mol. Its IUPAC name is 4-nitrobenzene-1,2-dicarbonitrile.

What is 4-Nitrophthalonitrile used for?

4-Nitrophthalonitrile is supplied as a characterised reference material related to Febuxostat. 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-Nitrophthalonitrile can I order?

We supply 4-Nitrophthalonitrile in Reference Standard (99.69%) grade, in 10 mg, 25 mg, 50 mg, 100 mg, 250 mg, 500 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 4-Nitrophthalonitrile?

Yes. Every lot of 4-Nitrophthalonitrile 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-Nitrophthalonitrile be shipped internationally?

Yes. 4-Nitrophthalonitrile 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.