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Malononitrile chemical structure, C3H2N2, CAS 109-77-3
2D chemical structure

Key facts

What buyers check first

Appearance
Colorless solid
Melting point
32 °C
Boiling point
218 to 219
Density
1.19 g/cm³
Flash point
130 °C
HS code
292690
Category
Herbicides
UN number
UN 2647
Illustrative photo, fine white powder in a white HDPE jar on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Malononitrile?

Plain description, key identifiers and synonyms

Malononitrile is a dinitrile that is methane substituted by two cyano groups. It is a dinitrile and an aliphatic nitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
propanedinitrile
CAS number
109-77-3 CAS number cross-checked
EC number
203-703-2
Molecular formula
C3H2N2
UNII
EBL1KKS93J
MDL number
MFCD00001883
InChIKey
CUONGYYJJVDODC-UHFFFAOYSA-N
InChI
InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
SMILES (canonical and isomeric)
C(C#N)C#N

Synonyms

  • Propanedinitrile
  • Dicyanomethane
  • Malonic dinitrile
  • Methylene cyanide
  • Cyanoacetonitrile
  • Malonodinitrile
  • Dicyanmethane
  • Malonic acid dinitrile
  • Methylenedinitrile
  • Methane, dicyano-
  • Methylenecyanide
  • Propanedinitrite
  • Nitril kyseliny malonove
  • Dwumetylosulfotlenku
  • RCRA waste number U149
  • USAF A-4600
  • USAF KF-19
  • Malonsaeuredinitril
  • Nitrile kyseliny malonove
  • Dicycanomethane
  • Malonicdinitrile
  • Methane, dicyano
  • Methylene Dicyanide
  • RCRA waste no. U149
  • Malononitril
Show all 30 synonyms
  • 1,1-dicyanomethane
  • Malononitrile, >=99%
  • 4-02-00-01892 (Beilstein Handbook Reference)
  • CH2(CN)2
  • UN 2647

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
Colorless solidexp.
Melting point
32 °Cexp.
Boiling point
218 to 219exp.
Density
1.19 g/cm³exp.
Flash point
130 °Cexp.
Solubility
In water, 1.33 × 10⁺⁵ mg/l @ 25 °Cexp.
Vapour pressure
0.200 mm Hg @ 25 °Cexp.

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
66.06 g/molcalc.
Exact mass
66.0218 Dacalc.
LogP (octanol/water)
0.42calc.
Topological polar surface area
47.58 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
5calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H331Toxic if inhaled.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (18)
  • 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.
  • P391Collect spillage.
  • 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 2647
Transport hazard class
6.1
Packing group
II

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

Malononitrile suppliers

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Malononitrile 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

Organic synthesis, leaching agent for gold.

Used as lubricating oil additive, thiamine synthesis, anti-cancer agent synthesis, acrylic fiber and dyestuff synthesis.

In life science industry, especially for synthesis of N-containing heterocycles, in production of herbicides, the diuretic triamterene, antineoplastic methotrexate, adenine, dyes, 7,7,8,8-tetracyanoquinodimethane, 2-chlorobenzyliden malononitrile (CS-gas) used for self-defense.

Industrial uses: Intermediate.

How it is made

Malononitrile can be produced from chloronitrile, methylnitrile and hydrogen cyanide at 700 °C.

Cyanochloride and acetonitrile are fed into a tube reactor above 700 °C

Produced batchwise by elimination of water from cyanoacetamide with phosphorus pentachloride.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 608-009-00-7

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Malononitrile, Ref no: 149, Annex ref: II/149

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 Malononitrile 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 Malononitrile is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Malononitrile?

Malononitrile is a dinitrile that is methane substituted by two cyano groups. It is a dinitrile and an aliphatic nitrile.

What is the CAS number of Malononitrile?

The CAS registry number of Malononitrile is 109-77-3.

What is the molecular formula and weight of Malononitrile?

The molecular formula of Malononitrile is C3H2N2 and its molar mass is 66.06 g/mol.

What is Malononitrile used for?

Organic synthesis, leaching agent for gold. Used as lubricating oil additive, thiamine synthesis, anti-cancer agent synthesis, acrylic fiber and dyestuff synthesis.

Is Malononitrile hazardous?

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

What is the HS code of Malononitrile?

Malononitrile 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 Malononitrile?

CompoundList lists 52 suppliers of Malononitrile in China, India, United States, Germany and 4 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Malononitrile in India?

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What is the price of Malononitrile?

Suppliers quote Malononitrile 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 Malononitrile

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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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