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API Process Intermediates & Related Compounds

4-Nitrophthalonitrile

Reference StandardIn stock

Buy 4-Nitrophthalonitrile (CAS 31643-49-9) from Zemixal. Request a quote with price, lead time and documents. Purity 99.69%.

Pack sizes
4-Nitrophthalonitrile chemical structure
CAS number31643-49-9
FormulaC8H3N3O2
Molar mass173.13 g/mol
Physical formSolid
HS code2933
Purity99.69%
InChIKeyNTZMSBAAHBICLE-UHFFFAOYSA-N
IUPAC name4-nitrobenzene-1,2-dicarbonitrile

About 4-Nitrophthalonitrile

Zemixal supplies 4-Nitrophthalonitrile within its pharma Intermediates & Building Blocks portfolio. Key data (Reference Standard): CAS 31643-49-9, formula C8H3N3O2 and molar mass 173.13 g/mol. It is handled as a solid.

Where it is used

  • API route development
  • Impurity fate & purge studies
  • Analytical method development

Storage and safety notes

It carries the GHS signal word Warning (H302, H315, H319 and H335), so wear gloves and eye protection and work with good ventilation.

Available as 10 mg, 25 mg, 50 mg, 100 mg and 250 mg. Larger or split packs can be arranged. Every shipment includes a batch certificate of analysis and a 16-section SDS. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Reference standards for Febuxostat

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

Febuxostat standards

Typical uses

  • API route development
  • Impurity fate & purge studies
  • Analytical method development

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Specifications and identifiers

Specifications of 4-Nitrophthalonitrile
Product name4-Nitrophthalonitrile
Catalogue numberZX-012182
CAS number31643-49-9
IUPAC name4-nitrobenzene-1,2-dicarbonitrile
Molecular formulaC8H3N3O2
Molar mass173.13 g/mol
Exact mass173.0225
GradeReference Standard
Purity / assay99.69%
Physical formSolid
XLogP31.2
H-bond donors / acceptors0 / 4
Topological polar surface area93.4 Ų
HS code2933
InChIKeyNTZMSBAAHBICLE-UHFFFAOYSA-N
SMILESC1=CC(=C(C=C1[N+](=O)[O-])C#N)C#N
PubChem CID97443
Synonyms4-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

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

Safety and GHS hazards

GHS07 Irritant or harmful
Irritant or harmful

Signal word Warning

  • 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 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 4-Nitrophthalonitrile
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request
250 mgQuoted on request
500 mgQuoted on request
1 gQuoted on request

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

Questions about 4-Nitrophthalonitrile

Which CAS number identifies 4-Nitrophthalonitrile?
4-Nitrophthalonitrile is registered under CAS 31643-49-9. You may also see it listed as 4-Nitro-1,2-benzenedicarbonitrile, 1,2-Dicyano-4-nitrobenzene, 3,4-Dicyano-1-nitrobenzene. Our catalogue number for this item is ZX-012182.
What are the formula and molar mass of 4-Nitrophthalonitrile?
For 4-Nitrophthalonitrile, its formula is C8H3N3O2 and its molar mass is 173.13 g/mol. The systematic (IUPAC) name is 4-nitrobenzene-1,2-dicarbonitrile. InChIKey NTZMSBAAHBICLE-UHFFFAOYSA-N lets you match it in any structure database.
How is 4-Nitrophthalonitrile used in pharmaceutical QC?
4-Nitrophthalonitrile is a characterised reference material linked to Febuxostat. 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 4-Nitrophthalonitrile?
This listing is Reference Standard grade with 99.69% purity. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg, 250 mg, 500 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with 4-Nitrophthalonitrile?
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 4-Nitrophthalonitrile to my country?
Yes. Because 4-Nitrophthalonitrile 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.

Other grades with CAS 31643-49-9

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