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Fungicides

Hexachlorobutadiene

Also known as Hexachloro-1,3-butadiene, Perchlorobutadiene, Hexachlorobuta-1,3-diene

CAS 87-68-3Formula C4Cl6Molar mass 260.76 g/molEC 201-765-5
GHS signal word: Danger. Pictograms: Corrosive, Acute toxicity (severe), Harmful or irritant, Serious health hazard 10 suppliers listed
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Hexachlorobutadiene chemical structure, C4Cl6, CAS 87-68-3
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Clear, colorless liquid
Melting point
-21 °C
Boiling point
215 °C
Density
Relative density (water = 1): 1.68
Flash point
90 °C
HS code
290329
Category
Fungicides
UN number
UN 2279
Illustrative photo, clear liquid in a volumetric flask on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Hexachlorobutadiene?

Plain description, key identifiers and synonyms

Hexachloro-1,3-butadiene is an organochlorine compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,1,2,3,4,4-hexachlorobuta-1,3-diene
CAS number
87-68-3 CAS number cross-checkedOther or deprecated CAS: 25668-23-9
EC number
201-765-5
Molecular formula
C4Cl6
UNII
CQ8AAO9MO1
MDL number
MFCD00000836
InChIKey
RWNKSTSCBHKHTB-UHFFFAOYSA-N
InChI
InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10
SMILES (canonical and isomeric)
C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl

Synonyms

  • Hexachloro-1,3-butadiene
  • Perchlorobutadiene
  • Hexachlorobuta-1,3-diene
  • HCBD
  • 1,1,2,3,4,4-hexachlorobuta-1,3-diene
  • Dolen-pur
  • Hexachlorbutadiene
  • 1,3-Butadiene, 1,1,2,3,4,4-hexachloro-
  • 1,3-Hexachlorobutadiene
  • Hexachlor-1,3-butadien
  • RCRA waste number U128
  • 1,1,2,3,4,4-Hexachloro-1,3-butadiene
  • Perchloro-1,3-butadiene
  • 1,3-Butadiene, hexachloro-
  • C4Cl6
  • RCRA waste no. U128
  • Butadiene, hexachloro-
  • Hexachlorobutadiene-(1,3)
  • 4-01-00-00988 (Beilstein Handbook Reference)
  • Hexachloro-1,3-butadiene, 96%
  • 1, 1,1,2,3,4,4-hexachloro-
  • UN 2279
  • 1,2,3,4,4-Hexachloro-1,3-butadiene
  • 1,1,2,3,4,4-Hexachloro-buta-1,3-diene
  • Hexachloro-1,3-butadiene, analytical standard
Show all 31 synonyms
  • Hexachlorobutadiene 5000 microg/mL in Methanol
  • Hexachloro-1,3-butadiene 10 microg/mL in Methanol
  • Hexachloro-1,3-butadiene 10 microg/mL in Cyclohexane
  • Hexachloro-1,3-butadiene 100 microg/mL in Methanol
  • Hexachloro-1,3-butadiene 100 microg/mL in Cyclohexane
  • Hexachloro-1,3-butadiene, PESTANAL(R), analytical standard

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
Clear, colorless liquidexp.
Odour
Mild, turpentine-like odor.exp.
Melting point
-21 °Cexp.
Boiling point
215 °Cexp.
Density
Relative density (water = 1): 1.68exp.
Flash point
90 °Cexp.
Autoignition temperature
610 °Cexp.
Solubility
In water, 3.20 mg/l @ 25 °Cexp.
Vapour pressure
0.22 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
260.76 g/molcalc.
Exact mass
257.8131 Dacalc.
LogP (octanol/water)
4.76calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
1calc.
Heavy atoms
10calc.
Rings
0calc.
Aromatic rings
0calc.
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.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment
121NFPA 704 rating

Hazard statements

  • H301Toxic if swallowed.
  • H302Harmful if swallowed.
  • H310Fatal in contact with skin.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H318Causes serious eye damage.
  • H319Causes serious eye irritation.
  • H330Fatal if inhaled.
  • H332Harmful if inhaled.
  • H351Suspected of causing cancer.
  • H371May cause damage to organs.

2 more on the safety page.

Precautionary statements (34)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • 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.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • 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.
  • 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.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P308 + P316If exposed or concerned: Get emergency medical help immediately.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • 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.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P362 + P364Take off 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 2279
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

Hexachlorobutadiene suppliers

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Where suppliers are based

10 suppliers in 4 countries

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Hexachlorobutadiene 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

Solvent for elastomers, heat-transfer liq, transformer and hydraulic fluid, wash liquor for removing C4 and higher hydrocarbons.

Chemical intermediate for fluorinated lubricants, rubber compounds, fluid for gyroscopes.

/Used in/ the USSR ... as a fumigant against Phylloxera on grapes. It is also used as a fumigant in vineyards in France, Italy, Greece, Spain & Argentina.

Ultraviolet irradiation on hexachlorobutadiene monomer has been used to photopolymerize the pin-hole free film.

The largest use of hexachlorobutadiene in USA in 1975 was for recovery of 'snift' (chlorine-containing) gas in chlorine plants. (Former use).

Use classes: Volatile organic compounds, Industrial.

Pharmacological actions

  • Fungicides, Industrial

How it is made

By-product of tetrachloroethylene, trichloroethylene, & carbon tetrachloride manufacturing processes.

Hexachlorobutadiene is produced chiefly as a by-product in the manufacture of chlorinated solvents and related products, in which it occurs in the heavy fractions.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce, Regulatory flags: Section 6 risk management rule

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2903.29Indicative HS code

Unsaturated chlorinated derivatives of acyclic hydrocarbons, other

World exports in 2024
$203M
−6.5% vs 2023, imports $212M
2019 to 2024
Top exporters
  1. China36.1%
  2. United States12.4%
  3. Germany9.0%
Top importers
  1. United States29.9%
  2. Spain12.1%
  3. Netherlands10.2%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Hexachlorobutadiene?

Hexachloro-1,3-butadiene is an organochlorine compound.

What is the CAS number of Hexachlorobutadiene?

The CAS registry number of Hexachlorobutadiene is 87-68-3. Other or deprecated CAS numbers: 25668-23-9.

What is the molecular formula and weight of Hexachlorobutadiene?

The molecular formula of Hexachlorobutadiene is C4Cl6 and its molar mass is 260.76 g/mol.

What is Hexachlorobutadiene used for?

Solvent for elastomers, heat-transfer liq, transformer and hydraulic fluid, wash liquor for removing C4 and higher hydrocarbons. Chemical intermediate for fluorinated lubricants, rubber compounds, fluid for gyroscopes. /Used in/ the USSR ... as a fumigant against Phylloxera on grapes.

Is Hexachlorobutadiene hazardous?

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

What is the HS code of Hexachlorobutadiene?

Hexachlorobutadiene is usually classified under HS code 290329 (Unsaturated chlorinated derivatives of acyclic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hexachlorobutadiene?

CompoundList lists 10 suppliers of Hexachlorobutadiene in China, United States, India and Russia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Hexachlorobutadiene in India?

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

What is the price of Hexachlorobutadiene?

Suppliers quote Hexachlorobutadiene 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 Hexachlorobutadiene

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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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