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Synthetic, Protecting & Derivatization Reagents

Phthalonitrile

Available on request

Buy Phthalonitrile (CAS 91-15-6) from Zemixal: C8H4N2, COA and SDS with every lot, worldwide shipping. Catalogue no. ZX-018599.

Pack sizes
Phthalonitrile chemical structure
CAS number91-15-6
FormulaC8H4N2
Molar mass128.13 g/mol
InChIKeyXQZYPMVTSDWCCE-UHFFFAOYSA-N
IUPAC namebenzene-1,2-dicarbonitrile

About Phthalonitrile

Phthalonitrile is part of the Zemixal synthetic, Protecting & Derivatization Reagents range. Key data: CAS 91-15-6, formula C8H4N2 and molar mass 128.13 g/mol.

Typical applications

  • Organic synthesis
  • Reaction development
  • Medicinal chemistry
  • Fine chemical synthesis

Safe handling

Hazard communication follows GHS (Danger: H300, H301, H311 and H331). Our SDS lists exposure controls and first-aid measures.

Order it in 100 g packs or ask for a bulk quotation. Each lot travels with 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.

Typical uses

  • Organic synthesis
  • Reaction development
  • Medicinal chemistry
  • Fine chemical synthesis

Applications

Research Labs and Universities

Specifications and identifiers

Specifications of Phthalonitrile
Product namePhthalonitrile
Catalogue numberZX-018599
CAS number91-15-6
IUPAC namebenzene-1,2-dicarbonitrile
Molecular formulaC8H4N2
Molar mass128.13 g/mol
Exact mass128.0374
XLogP31
H-bond donors / acceptors0 / 2
Topological polar surface area47.6 Ų
InChIKeyXQZYPMVTSDWCCE-UHFFFAOYSA-N
SMILESC1=CC=C(C(=C1)C#N)C#N
PubChem CID7042
Synonyms1,2-Benzodinitrile, Benzene-1,2- Dicarbonitrile, 1,2-Dicyanobenzene, o-Phthalodinitrile, o-Dicyanobenzene, o-Cyanobenzonitrile, o-Benzenedinitrile, o-Pdn, o-Benzenedicarbonitrile, Phthalic acid dinitrile, 1,2-Benzendikarbonitril, ortho-Dicyanobenzene

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

Safety and GHS hazards

GHS06 Acute toxicity
Acute toxicity

Signal word Danger

  • H300Fatal if swallowed
  • H301Toxic if swallowed
  • H311Toxic in contact with skin
  • H331Toxic if inhaled
  • H412Harmful to aquatic life with long lasting effects

Precautionary statements P261, P262, P264, P270, P271, P273, P280, P301 + P316, P302 + P352, P304 + P340, P316, P321, P330, P361 + 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 Phthalonitrile
100 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 Phthalonitrile

Which CAS number identifies Phthalonitrile?
Phthalonitrile is registered under CAS 91-15-6. You may also see it listed as 1,2-Benzodinitrile, Benzene-1,2- Dicarbonitrile, 1,2-Dicyanobenzene. Our catalogue number for this item is ZX-018599.
What are the formula and molar mass of Phthalonitrile?
For Phthalonitrile, its formula is C8H4N2 and its molar mass is 128.13 g/mol. The systematic (IUPAC) name is benzene-1,2-dicarbonitrile. InChIKey XQZYPMVTSDWCCE-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Phthalonitrile?
The grade and assay are confirmed on the quotation and the batch COA. Standard packs are 100 g. Larger quantities and custom packing can be quoted on request.
Which documents come with Phthalonitrile?
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 Phthalonitrile to my country?
Yes. Because Phthalonitrile 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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