CompoundList

Hexachlorobenzene

Also known as Perchlorobenzene, Anticarie, Bunt-cure

Hexachlorobenzene chemical structure, C6Cl6, CAS 118-74-1
2D chemical structure

Key facts

What buyers check first

Appearance
White needles
Melting point
228.8 °C
Boiling point
325 °C
Density
2.0 g/cm³
Flash point
242 °C
HS code
290392
Category
Fungicides
UN number
UN 2729

What is Hexachlorobenzene?

Plain description, key identifiers and synonyms

Hexachlorobenzene is a member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants. It has a role as a carcinogenic agent, a persistent organic pollutant and an antifungal agrochemical. It is a member of chlorobenzenes and an aromatic fungicide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,2,3,4,5,6-hexachlorobenzene
CAS number
118-74-1 CAS number cross-checked
EC number
204-273-9
Molecular formula
C6Cl6
UNII
4Z87H0LKUY
MDL number
MFCD00000540
InChIKey
CKAPSXZOOQJIBF-UHFFFAOYSA-N
InChI
InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
SMILES (canonical and isomeric)
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl

Synonyms

  • Perchlorobenzene
  • Anticarie
  • Bunt-cure
  • Bunt-no-more
  • Sanocide
  • Amatin
  • 1,2,3,4,5,6-Hexachlorobenzene
  • Phenyl perchloryl
  • Hexachlorbenzol
  • Benzene, hexachloro-
  • Snieciotox
  • NO Bunt liquid
  • Esaclorobenzene
  • Smut-Go
  • Sanocid
  • NO Bunt
  • Julin's carbon chloride
  • CO-OP Hexa
  • Granox NM
  • Granox
  • Saatbeizfungizid
  • NO Bunt 40
  • NO Bunt 80
  • Pentachlorophenyl chloride
  • Voronit C
Show all 36 synonyms
  • Hexa C.B.
  • Hexa CB
  • CEKU C.B.
  • AI 3.01719
  • Pentachlorophenylchloride
  • HCB
  • Rcra waste number U127
  • Hexcachlorbenzen
  • Julin's chloride
  • 1,2,3,4,5,6-hexachloro-benzene
  • Benzene, 1,2,3,4,5,6-hexachloro-

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
White needlesexp.
Melting point
228.8 °Cexp.
Boiling point
325 °Cexp.
Density
2.0 g/cm³exp.
Flash point
242 °Cexp.
Solubility
In water, 4.7 × 10⁻³ mg/L at 25 °Cexp.
Vapour pressure
1.72 × 10⁻⁵ 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
284.78 g/molcalc.
Exact mass
281.8131 Dacalc.
LogP (octanol/water)
5.61calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H350May cause cancer.
  • H372Causes damage to organs through prolonged or repeated exposure.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (11)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P391Collect spillage.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 2729
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

Hexachlorobenzene suppliers

Controlled substance, listings of documented suppliers only, in the documented ranking

Persistent organic pollutant

Hexachlorobenzene is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Licensed buyers only, every enquiry is reviewed by our compliance team.

Reference: Stockholm Convention on Persistent Organic Pollutants, HS 2022 subheading 2903.92 (hexachlorobenzene and DDT)

Our policy on controlled substances
No documented supplier lists it yet

Licensed buyers can post a request for Hexachlorobenzene with their licence. Our compliance team reviews it before suppliers see it.

Hexachlorobenzene 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

In organic syntheses. Formerly as agricultural fungicide.

As a raw material for synthetic rubber, plasticizer for polyvinyl chloride, as a rubber peptizing agent in the manufacture of nitroso and styrene-type rubbers.

Additive for pyrotechnic compositions for the military, porosity controller in manufacture of electrodes, intermediate in dye manufacture.

There are currently no commercial uses of hexachlorobenzene in the United States. Hexachlorobenzene is currently formed as a byproduct during the manufacture of other chemicals (mainly solvents) and pesticides.

Industrial uses: Intermediate.

Use classes: Pesticides, Fungicides.

Pharmacological actions

  • Fungicides, Industrial

Roles

  • aetiopathogenetic role
  • agrochemical
  • antifungal agent
  • antifungal agrochemical
  • antimicrobial agent
  • carcinogenic agent
  • environmental contaminant
  • fungicide
  • persistent organic pollutant
  • pesticide

Functional uses

  • Biocide

Pharmacology

Hexachlorobenzene is a stable, white, crystalline chlorinated hydrocarbon that emits very toxic fumes of carbon monoxide, carbon dioxide, hydrochloric acid and other chlorinated compounds when heated to decomposition. Hexachlorobenzene was used as a fungicide and was also used as a chemical intermediate in the manufacture of dyes, synthesis of organic chemicals, rubber and in wood preservation. Prolonged oral exposure to this substance results in a liver disease with associated skin lesions. Hexachlorobenzene is reasonably anticipated to be a human carcinogen based on association between thyroid, liver and kidney cancer and oral exposure in animals. (NCI05)

How it is made

Chlorination of benzene, isolation from by-product residues of tetrachloroethylene production, reaction of hexachlorocyclohexane with chlorine or sulfuryl chloride

Hexachlorobenzene can be produced by exhaustive chlorination of benzene, using chlorine in the presence of such catalysts as ferric chloride. The reaction is conducted at a temperature above 230 °C in the liquid or vapor phase.

Read more

Because much of the chlorine remains unreacted and because hexachlorobenzene sublimes, the off-gas from the process is passed through fresh starting material, in the course of which the chlorine is reacted and the sublimate washed out. The difficulties caused by sublimed hexachlorobenzene can be eliminated by batch chlorination with liquid chlorine in an autoclave.

Produced by ... hexachlorocyclohexane in the presence of chlorine.

Regulatory status

Inventories, regulations and trade controls that list this substance

Persistent organic pollutant

Hexachlorobenzene is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Licensed buyers only, every enquiry is reviewed by our compliance team.

Reference: Stockholm Convention on Persistent Organic Pollutants, HS 2022 subheading 2903.92 (hexachlorobenzene and DDT)

Our policy on controlled substances

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 602-065-00-6

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Hexachlorobenzene, Ref no: 652, Annex ref: II/652

Agriculture and environment

  • Stockholm Convention persistent organic pollutant

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 Hexachlorobenzene is traded under.

HS 2903.92Exact HS code

Hexachlorobenzene (ISO) and DDT (ISO) (clofenotane (INN)…

World exports in 2024
$368K
+123% vs 2023, imports $113K
2019 to 2024
Top exporters
  1. United Kingdom48.8%
  2. United States24.1%
  3. Germany16.5%
Top importers
  1. United States54.7%
  2. Greece9.1%
  3. India * partner reported8.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Hexachlorobenzene is indicative (it was matched by name in the HS nomenclature). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Hexachlorobenzene?

Hexachlorobenzene is a member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines.

What is the CAS number of Hexachlorobenzene?

The CAS registry number of Hexachlorobenzene is 118-74-1.

What is the molecular formula and weight of Hexachlorobenzene?

The molecular formula of Hexachlorobenzene is C6Cl6 and its molar mass is 284.78 g/mol.

What is Hexachlorobenzene used for?

In organic syntheses. Formerly as agricultural fungicide. As a raw material for synthetic rubber, plasticizer for polyvinyl chloride, as a rubber peptizing agent in the manufacture of nitroso and styrene-type rubbers.

Is Hexachlorobenzene hazardous?

Hexachlorobenzene carries the GHS signal word "Danger". Main hazards: may cause cancer, causes damage to organs through prolonged or repeated exposure, very toxic to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Hexachlorobenzene?

Hexachlorobenzene is usually classified under HS code 290392 (Hexachlorobenzene (ISO) and DDT (ISO) (clofenotane (INN)…). This is indicative, confirm it with your customs broker before shipping.

Can I buy Hexachlorobenzene on CompoundList?

Hexachlorobenzene is a controlled substance. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed by our compliance team before suppliers see it.

Guides for buyers

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

Request as a licensed buyer

Upload your licence with the request. Our compliance team reviews it before the documented suppliers see it.
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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