Hexachlorobenzene
Also known as Perchlorobenzene, Anticarie, Bunt-cure
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 synonymsShow fewer 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.Measured value |
|---|---|
| Melting point | 228.8 °Cexp.Measured value |
| Boiling point | 325 °Cexp.Measured value |
| Density | 2.0 g/cm³exp.Measured value |
| Flash point | 242 °Cexp.Measured value |
| Solubility | In water, 4.7 × 10⁻³ mg/L at 25 °Cexp.Measured value |
| Vapour pressure | 1.72 × 10⁻⁵ mm Hg at 25 °Cexp.Measured value |
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.Computed value |
|---|---|
| Exact mass | 281.8131 Dacalc.Computed value |
| LogP (octanol/water) | 5.61calc.Computed value |
| Topological polar surface area | 0 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 0calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 12calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
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 aidHexachlorobenzene suppliers
Controlled substance, listings of documented suppliers only, in the documented ranking
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 substancesLicensed 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
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
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.
Industries and functions
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
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 substancesEurope
- EU harmonised classification (CLP Annex VI)Index no: 602-065-00-6
Health and food
- EU Cosmetics Regulation Annex II, prohibited in cosmeticsName: 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.
Hexachlorobenzene (ISO) and DDT (ISO) (clofenotane (INN)…
- United Kingdom48.8%
- United States24.1%
- Germany16.5%
- United States54.7%
- Greece9.1%
- India * partner reported8.9%
* Partner reported figures, a lower bound.
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?
What is the CAS number of Hexachlorobenzene?
What is the molecular formula and weight of Hexachlorobenzene?
What is Hexachlorobenzene used for?
Is Hexachlorobenzene hazardous?
What is the HS code of Hexachlorobenzene?
Can I buy Hexachlorobenzene on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Hexachlorobenzene
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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