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Adiponitrile chemical structure, C6H8N2, CAS 111-69-3
2D chemical structure

Key facts

What buyers check first

Appearance
Needles from ether
Melting point
1 to 3
Boiling point
295 °C
Density
0.9676 g/ml @ 20 °C
Flash point
93 °C
HS code
292690
Category
Nitriles, nitro and azo compounds
UN number
UN 2205
Illustrative photo, a shrink wrapped pallet of kraft paper sacks in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Adiponitrile?

Plain description, key identifiers and synonyms

Adiponitrile appears as a colorless to light yellow liquid which is fairly soluble and is less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
hexanedinitrile
CAS number
111-69-3 CAS number cross-checked
EC numbers
203-896-3, 270-153-8
Molecular formula
C6H8N2
UNII
SYT33B891I
MDL number
MFCD00001975
InChIKey
BTGRAWJCKBQKAO-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
SMILES (canonical and isomeric)
C(CCC#N)CC#N

Synonyms

  • Hexanedinitrile
  • 1,4-Dicyanobutane
  • Adipodinitrile
  • Adipyldinitrile
  • Adipic acid dinitrile
  • Nitrile adipico
  • Tetramethylene dicyanide
  • Tetramethylene cyanide
  • Adipic acid nitrile
  • Adipinsaeuredinitril
  • Hexanedioic acid, dinitrile
  • adiponitril
  • butane-1,4-dicarbonitrile
  • Hexanedioic acid dinitrile
  • Adipic dinitrile
  • Adiponitrile, 99%
  • hexane-1,6-dinitrile
  • Butanedicarbonitrile
  • 4-02-00-01975 (Beilstein Handbook Reference)
  • UN 2205
  • Adiponitrile, >99%, acid <200 ppm, H2O <100 ppm

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 etherexp.
Odour
Practically odorless.exp.
Melting point
1 to 3exp.
Boiling point
295 °Cexp.
Density
0.9676 g/ml @ 20 °Cexp.
Flash point
93 °Cexp.
Autoignition temperature
550 °Cexp.
Solubility
In water, 8.0 × 10⁺⁴ mg/l @ 20 °C.exp.
Vapour pressure
6.8 × 10⁻⁴ mm Hg at 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
108.14 g/molcalc.
Exact mass
108.0687 Dacalc.
LogP (octanol/water)
1.59calc.
Topological polar surface area
47.58 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
8calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
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)
GHS07: Harmful or irritant
Harmful or irritant
221NFPA 704 rating

Hazard statements

  • H301Toxic if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H330Fatal if inhaled.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (24)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory 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.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off 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 2205
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

Adiponitrile suppliers

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Where suppliers are based

21 suppliers in 7 countries

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Adiponitrile 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 the manufacture of nylon, organic synthesis.

Preparation of adipoquanamine, extractant for aromatic hydrocarbons.

Industrial uses: Other, Intermediate.

How it is made

Chlorination of butadiene to dichlorobutylene, which is reacted with 35% sodium cyanide soln to yield 1,4-dicyanobutylene, which is hydrogenated to adiponitrile. Also by electroorganic synthesis from acrylonitrile.

Reaction of adipic acid with ammonia (either liquid or vapor phase) produces adipamide as intermediate, which is subsequently dehydrated to adiponitrile.

Prepared by dimerization of acrylonitrile at the cathode of an electrolytic cell (propionitrile and bis(cyanoethyl) ether are by-products).

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

Frequently asked questions

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

What is Adiponitrile?

Adiponitrile appears as a colorless to light yellow liquid which is fairly soluble and is less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.

What is the CAS number of Adiponitrile?

The CAS registry number of Adiponitrile is 111-69-3.

What is the molecular formula and weight of Adiponitrile?

The molecular formula of Adiponitrile is C6H8N2 and its molar mass is 108.14 g/mol.

What is Adiponitrile used for?

Intermediate in the manufacture of nylon, organic synthesis. Preparation of adipoquanamine, extractant for aromatic hydrocarbons. Industrial uses: Other, Intermediate.

Is Adiponitrile hazardous?

Adiponitrile carries the GHS signal word "Danger". Main hazards: toxic if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Adiponitrile?

Adiponitrile 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 Adiponitrile?

CompoundList lists 21 suppliers of Adiponitrile in India, China, United States, United Arab Emirates and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Adiponitrile in India?

7 suppliers in India list Adiponitrile on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Adiponitrile?

Suppliers quote Adiponitrile 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 Adiponitrile

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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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