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Nitriles, nitro and azo compounds

3-Hexenedinitrile

Also known as 1,4-Dicyano-2-butene, hex-3-enedinitrile, beta-Hydromucononitrile

CAS 1119-85-3Formula C6H6N2Molar mass 106.13 g/molEC 214-287-7
GHS signal word: Warning. Pictograms: Harmful or irritant 2 suppliers listed
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3-Hexenedinitrile chemical structure, C6H6N2, CAS 1119-85-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1119-85-3
Formula
C6H6N2
Molar mass
106.13 g/mol
EC number
214-287-7
HS code
292690
Category
Nitriles, nitro and azo compounds

What is 3-Hexenedinitrile?

Plain description, key identifiers and synonyms

3-Hexenedinitrile is a chemical substance with the molecular formula C6H6N2 and a molar mass of 106.13 g/mol. Its CAS registry number is 1119-85-3. The IUPAC name is (E)-hex-3-enedinitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-hex-3-enedinitrile
CAS number
1119-85-3 CAS number cross-checkedOther or deprecated CAS: 18715-38-3
EC numbers
214-287-7, 242-519-7
Molecular formula
C6H6N2
UNII
FMI3J48MFI
MDL number
MFCD00001964
InChIKey
BSVZXPLUMFUWHW-OWOJBTEDSA-N
InChI
InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2/b2-1+
Canonical SMILES
N#CCC=CCC#N
Isomeric SMILES
C(/C=C/CC#N)C#N

Synonyms

  • 1,4-Dicyano-2-butene
  • hex-3-enedinitrile
  • beta-Hydromucononitrile
  • 4-02-00-02238 (Beilstein Handbook Reference)
  • 1,4Dicyano2butene
  • betaHydromucononitrile
  • (E)-Hex-3-enedinitrile
  • (3E)-hex-3-enedinitrile
  • (E)-3-Hexenedinitrile
  • 3-Hexenedinitrile, (3E)-
  • (3E)-3-Hexenedinitrile
  • trans-1,4-Dicyano-2-butene
  • (2E)but-2-ene-1,4-dicarbonitrile
  • 1,4-Dicyano butene-2
  • 3-hexene-1,6-dinitrile
  • 1,4-dicyano-trans-2-butene
  • 3-Hexenedinitrile, (E)-
  • (3E)-3-Hexenedinitrile #
  • 1,4-Dicyano-2-butene,trans
  • trans-3-Hexenedinitrile, 97%
  • trans-beta-hydromucononitrile

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
106.13 g/molcalc.
Exact mass
106.0531 Dacalc.
LogP (octanol/water)
1.37calc.
Topological polar surface area
47.58 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
8calc.
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
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (20)
  • 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.
  • P301 + P317If swallowed: Get medical help.
  • 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.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • 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.

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

3-Hexenedinitrile suppliers

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

All 2 suppliers

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

2 suppliers in 1 country

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3-Hexenedinitrile price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Chemical intermediate for adiponitrile (as isomeric mixt).

How it is made

Reaction of 1,4-dichlorobutenes with sodium cyanide in the presence of a copper catalyst produces an isomeric mixture of 1,4-dicyanobutenes

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Inactive 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 3-Hexenedinitrile 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 3-Hexenedinitrile is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Hexenedinitrile, based on the data on this page

What is 3-Hexenedinitrile?

3-Hexenedinitrile is a chemical substance with the molecular formula C6H6N2 and a molar mass of 106.13 g/mol. Its CAS registry number is 1119-85-3. The IUPAC name is (E)-hex-3-enedinitrile.

What is the CAS number of 3-Hexenedinitrile?

The CAS registry number of 3-Hexenedinitrile is 1119-85-3. Other or deprecated CAS numbers: 18715-38-3.

What is the molecular formula and weight of 3-Hexenedinitrile?

The molecular formula of 3-Hexenedinitrile is C6H6N2 and its molar mass is 106.13 g/mol.

What is 3-Hexenedinitrile used for?

Chemical intermediate for adiponitrile (as isomeric mixt).

Is 3-Hexenedinitrile hazardous?

3-Hexenedinitrile carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 3-Hexenedinitrile?

3-Hexenedinitrile 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 3-Hexenedinitrile?

CompoundList lists 2 suppliers of 3-Hexenedinitrile in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Hexenedinitrile?

Suppliers quote 3-Hexenedinitrile 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 3-Hexenedinitrile

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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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