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Insecticides and acaricides

Phthalonitrile

Also known as 1,2-Dicyanobenzene, 1,2-Benzenedicarbonitrile, o-Phthalodinitrile

CAS 91-15-6Formula C8H4N2Molar mass 128.13 g/molEC 202-044-8
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 12 suppliers listed
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Phthalonitrile chemical structure, C8H4N2, CAS 91-15-6
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Needles from water or petroleum ether
Melting point
138 °C
Boiling point
304.5 °C
Density
1.238 g/cm³
Flash point
162 °C
HS code
292690
Category
Insecticides and acaricides
UN number
UN 3276
Illustrative photo, 25 kg white woven sacks of powder on a pallet in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Phthalonitrile?

Plain description, key identifiers and synonyms

Phthalonitrile is a dinitrile that is benzene which is substituted by cyano groups at positions 1 and 2. It is a member of benzenes and a dinitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
benzene-1,2-dicarbonitrile
CAS number
91-15-6 CAS number cross-checkedOther or deprecated CAS: 32074-25-2
EC number
202-044-8
Molecular formula
C8H4N2
UNII
978627YAJU
MDL number
MFCD00001771
InChIKey
XQZYPMVTSDWCCE-UHFFFAOYSA-N
InChI
InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H
SMILES (canonical and isomeric)
C1=CC=C(C(=C1)C#N)C#N

Synonyms

  • 1,2-Dicyanobenzene
  • 1,2-Benzenedicarbonitrile
  • o-Phthalodinitrile
  • benzene-1,2-dicarbonitrile
  • o-Dicyanobenzene
  • o-Cyanobenzonitrile
  • o-Benzenedinitrile
  • o-Pdn
  • o-Benzenedicarbonitrile
  • Phthalic acid dinitrile
  • USAF ND-09
  • Ftalodinitril
  • Ftalonitril
  • 1,2-Benzendikarbonitril
  • ortho-Dicyanobenzene
  • Phthalodinitrile
  • 1,2-Benzodinitrile
  • 1,2-Bis(cyano)benzene
  • Benzenedicarbonitrile
  • o-Phthalonitrile
  • o-benzodinitrile
  • 1,2-Dicyanobenzene, 98%
  • 1,2-Dicyanobenzene, Benzene-1,2-dicarbonitrile

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Needles from water or petroleum etherexp.
Odour
Slightly aromaticexp.
Melting point
138 °Cexp.
Boiling point
304.5 °Cexp.
Density
1.238 g/cm³exp.
Flash point
162 °Cexp.
Autoignition temperature
>580exp.
Solubility
In water, 395 mg/l @ 25 °C.exp.
Vapour pressure
0.05 millibar @ 20 °C (3.75 × 10⁻² mm Hg)exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
128.13 g/molcalc.
Exact mass
128.0374 Dacalc.
LogP (octanol/water)
1.43calc.
Topological polar surface area
47.58 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H331Toxic if inhaled.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (17)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 3276
Transport hazard class
6.1
Packing group
III

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Phthalonitrile suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 12 suppliers
12 of 12 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

12 suppliers in 6 countries

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Phthalonitrile price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Intermediate in organic synthesis, (esp pigments and dyes), base material for high temp lubricants and coatings.

Insecticide, synergist (Former).

Used as a starting material for producing phthalocyanine pigments, fluorescent brighteners and photographic sensitizers.

How it is made

Vapor phase reaction of ammonia and phthalic anhydride over alumina catalyst @ high temp.

Produced commercially from o-xylene by ammoxidation, produced commercially from phthalic acid, phthalic anhydride, phthalamide or phthalimide by reaction with ammonia and elimination of water @ 300-500 °C in gas-phase with catalyst.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Phthalonitrile is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Phthalonitrile is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Phthalonitrile, based on the data on this page

What is Phthalonitrile?

Phthalonitrile is a dinitrile that is benzene which is substituted by cyano groups at positions 1 and 2. It is a member of benzenes and a dinitrile.

What is the CAS number of Phthalonitrile?

The CAS registry number of Phthalonitrile is 91-15-6. Other or deprecated CAS numbers: 32074-25-2.

What is the molecular formula and weight of Phthalonitrile?

The molecular formula of Phthalonitrile is C8H4N2 and its molar mass is 128.13 g/mol.

What is Phthalonitrile used for?

Intermediate in organic synthesis, (esp pigments and dyes), base material for high temp lubricants and coatings. Insecticide, synergist (Former). Used as a starting material for producing phthalocyanine pigments, fluorescent brighteners and photographic sensitizers.

Is Phthalonitrile hazardous?

Phthalonitrile carries the GHS signal word "Danger". Main hazards: fatal if swallowed, toxic if swallowed, toxic in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Phthalonitrile?

Phthalonitrile is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phthalonitrile?

CompoundList lists 12 suppliers of Phthalonitrile in China, United States, Canada, Czech Republic and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Phthalonitrile?

Suppliers quote Phthalonitrile on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Phthalonitrile

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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