| hexachlorobenzene (Ref: ENT 1719) |
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SUMMARY
Hexachlorobenzene is a fungicide banned in the EU. It has a low aqueous solubility and is volatile with a low potential for leaching to groundwater. It may be very persistent in soil systems. Hexachlorobenzene las a low mammalian toxicity but a high potential to bioaccumulate. It may also be carcinogenic. It is highly toxic to fish and moderately toxic to birds, aquatic invertebrates, algae and earthworms. GENERAL INFORMATION 
for hexachlorobenzene
Description: An chlorinated hydrocarbon fungicide used to control bunt and a pesticide transformation product
Example pests controlled: Common and Dwarf bunt
Example applications: Wheat and some other cereals
Efficacy & activity: -
Availability status: Unknown, Banned
Introduction & key dates: circa 1947
EC Regulation 1107/2009 (repealing 91/414):
| Status | Not approved |
| Dossier rapporteur/co-rapporteur | - |
| Date inclusion expires | Expired |
| EU Candidate for substitution (CfS) | - |
| Listed in EU database | Yes |
Approved for use (
) or known to be used (
) in the following European countries: 
AT |
BE |
BG |
CY |
CZ |
DE |
DK |
EE |
EL |
ES |
FI |
FR |
HR |
HU |
IE |
IT |
LT |
LU |
LV |
MT |
NL |
PL |
PT |
RO |
SE |
SI |
SK |
UK |
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Chemical structure:
| Isomerism | None |
| Chemical formula | C6Cl6 |
| Canonical SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl |
| Isomeric SMILES | No data |
| International Chemical Identifier key (InChIKey) | CKAPSXZOOQJIBF-UHFFFAOYSA-N |
| International Chemical Identifier (InChI) | InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
| 2D structure diagram/image available? | Yes |
Cambridge Crystallographic Data Centre diagrams:
| Common Name | Relationship | Link |
| Hexachlorobenzene | - |  |
General status:
| Pesticide type | Fungicide, Biocide, Metabolite, Wood preservative | |||
| Metabolite Type | Soil | |||
| Substance group | Chlorinated hydrocarbon | |||
| Minimum active substance purity | - | |||
| Known relevant impurities | - | |||
| Substance origin | Synthetic | |||
| Mode of action | Fumigant action on fungal spores | |||
| CAS RN | 118-74-1 | |||
| EC number | 204-273-9 | |||
| CIPAC number | 161 | |||
| US EPA chemical code | 061001 | |||
| PubChem CID | 8370 | |||
| Molecular mass (g mol-1) | 284.80 | |||
| PIN (Preferred Identification Name) | - | |||
| IUPAC name | perchlorobenzene | |||
| CAS name | hexachlorobenzene | |||
| Other status information | WFD priority substance; Chemical subject to PIC regulations; OSPAR candidate; Rotterdam Convention (Class Ia) | |||
| Relevant Environmental Water Quality Standards | EU Directive 2008/105/EC EQS surface waters: annual average 0.01 ug/L; max measured 0.05 ug/L UK Statutory standard for the protection of aquatic life in inland, coastal and territorial waters: 0.03 ug/L as annual average Other standards are also available |
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| Herbicide Resistance Classification (HRAC) | Not applicable | |||
| Herbicide Resistance Classification (WSSA) | Not applicable | |||
| Insecticide Resistance Classification (IRAC) | Not applicable | |||
| Fungicide Resistance Classification (FRAC) | Not known | |||
| Examples of recorded resistance | - | |||
| Physical state | Colourless crystals | |||
| Related substances & organisms | - | |||
Can be a metabolite of:
| Parent | Formation medium | Estimated maximum occurrence fraction | 1107/2009 relevancy |
|
| quintozene | Soil | - | ||
Formulations:
| Property |
Value | |||
| Example manufacturers & suppliers of products using this active now or historically |
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| Example products using this active |
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| UK LERAP status | No UK approval for use as a pesticide under EC Regulation 1107/2009 | |||
| Formulation and application details | Often used as a seed dressing. | |||
ENVIRONMENTAL FATE
for hexachlorobenzene
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
|
| Solubility - In water at 20oC (mg l-1) | 0.0047 | G4 | Low | |
| Solubility - In organic solvents at 20oC (mg l-1) | - | - | - | |
| Melting point (oC) | 226 | L3 | - | |
| Boiling point (oC) | 325 | V3 | - | |
| Degradation point (oC) | - | - | - | |
| Flashpoint (oC) | 242 | V3 | - | |
| Octanol-water partition coefficient at pH 7, 20oC | P | 8.51 X 1003 | Calculated | - |
| Log P | 3.93 | H4 | High | |
| Bulk density (g ml-1)/Specific gravity | 2.044 | L3 | - | |
| Dissociation constant (pKa) at 25oC | - | - | - | |
| Note: | ||||
| Vapour pressure at 20oC (mPa) | 1.45 | G4 | Low volatility | |
| Henry's law constant at 25oC (Pa m3 mol-1) | 1.03 X 1001 | H4 | Moderately volatile | |
GUS leaching potential index  |
-2.31 | Calculated | Low leachability | |
| SCI-GROW groundwater index (μg l-1) for a 1 kg ha-1 or 1 l ha-1 application rate |
Value | 5.35 X 10-03 | Calculated | - |
| Note | Estimated concentrations of chemicals with Koc values greater than 9995 ml g-1 are beyond the scope of the regression data used in SCI-GROW development. If there are concerns for such chemicals, a higher tier groundwater exposure assessment should be considered, regardless of the concentration returned by SCI-GROW | |||
| Potential for particle bound transport index |
- | Calculated | High | |
| Maximum UV-vis absorption L mol-1 cm-1 | - | - | - | |
| Surface tension (mN m-1) | - | - | - | |
Degradation:
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
General biodegradability | - |
| Soil degradation (days) (aerobic) | DT50 (typical) | 2000 | G3 | Very persistent |
| DT50 (lab at 20oC) | - | - | - | |
| DT50 (field) | - | - | - | |
| DT90 (lab at 20oC) | - | - | - | |
| DT90 (field) | - | - | - | |
| DT50 modelling endpoint | - | - | - | |
| Note | General literature states DT50 range 2.7-7.5 years, highly persistent | |||
| Dissipation rate RL50 on plant matrix | Value | - | - | - |
| Note | - | |||
| Dissipation rate RL50 on and in plant matrix | Value | 9.7 | R3 | - |
| Note | Lettuce leaves, n=1 | |||
| Aqueous photolysis DT50 (days) at pH 7 | Value | - | - | - |
| Note | - | |||
| Aqueous hydrolysis DT50 (days) at 20oC and pH 7 | Value | - | - | - |
| Note | - | |||
| Water-sediment DT50 (days) | - | - | - | |
| Water phase only DT50 (days) | - | - | - | |
Soil adsorption and mobility:
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
|
| Linear | Kd | - | G3 | Non-mobile |
| Koc | 50000 | |||
| Notes and range | - | |||
| Freundlich | Kf | - | - | - |
| Kfoc | - | |||
| 1/n | - | |||
| Notes and range | - | |||
| pH sensitivity | - | |||
ECOTOXICOLOGY
for hexachlorobenzene
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
|
| Bio-concentration factor | BCF (l kg-1) | 35000 | A3 (Other literature values Log BCF range 1.6-5.4 (R3); PIC DGD gives BCF range 375-35000) | High potential |
| CT50 (days) | Not available | - | ||
| Mammals - Acute oral LD50 (mg kg-1) | > 10000 | L3 Rat | Low | |
| Mammals - Short term dietary NOEL | (mg kg-1) | - | - | - |
| (ppm diet) | - | - | ||
| Birds - Acute LD50 (mg kg-1) | > 575 | G4 Colinus virginianus | Moderate | |
| Birds - Short term dietary (LC50/LD50) | - | - | - | |
| Fish - Acute 96 hour LC50 (mg l-1) | 0.03 | F4 Oncorhynchus mykiss | High | |
| Fish - Chronic 21 day NOEC (mg l-1) | - | - | - | |
| Aquatic invertebrates - Acute 48 hour EC50 (mg l-1) | 0.5 | F2 Daphnia magna, 24 hour | Moderate | |
| Aquatic invertebrates - Chronic 21 day NOEC (mg l-1) | - | - | - | |
| Aquatic crustaceans - Acute 96 hour LC50 (mg l-1) | - | - | - | |
| Sediment dwelling organisms - Acute 96 hour LC50 (mg l-1) | - | - | - | |
| Sediment dwelling organisms - Chronic 28 day NOEC, static, water (mg l-1) | - | - | - | |
| Sediment dwelling organisms - Chronic 28 day NOEC, sediment (mg kg-1) | - | - | - | |
| Aquatic plants - Acute 7 day EC50, biomass (mg l-1) | - | - | - | |
| Non-target plants | - | - | - | |
| - | - | - | ||
| Algae - Acute 72 hour EC50, growth (mg l-1) | 0.01 | F4 Scenedesmus abundans | Moderate | |
| Algae - Chronic 96 hour NOEC, growth (mg l-1) | - | - | - | |
| Honeybees | Contact acute 48 hour LD50 (μg bee-1) | - | - | - |
| Oral acute 48 hour LD50 (μg bee-1) | - | - | - | |
| Unknown mode acute 48 hour LD50 (μg bee-1) | - | - | - | |
| Earthworms - Acute 14 day LC50 (mg kg-1) | > 1000 | F4 Eisenia foetida | Low | |
| Earthworms - Chronic 14 day NOEC, reproduction (mg kg-1) | - | - | - | |
| Other soil macro-organisms - e.g. Collembola | LR50 / EC50 / NOEC / % Effect | - | - | - |
| Other arthropod (1) | LR50 g ha-1 | - | - | - |
| % Effect | - | - | - | |
| Other arthropod (2) | LR50 g ha-1 | - | - | - |
| % Effect | - | - | - | |
| Soil micro-organisms | - | - | - | |
| Mesocosm study data | NOEAEC mg l-1 | - | - | - |
| NOEAEC mg l-1 | - | - | - | |
HUMAN HEALTH AND PROTECTION
for hexachlorobenzene
General:
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
|
| Threshold of Toxicological Concern (Cramer Class) |
High (class III) | - | - | |
| Mammals - Acute oral LD50 (mg kg-1) | > 10000 | L3 Rat | Low | |
| Mammals - Dermal LD50 (mg kg-1 body weight) | - | - | - | |
| Mammals - Inhalation LC50 (mg l-1) | - | - | - | |
| Other Mammal toxicity endpoints | - | - | ||
| ADI - Acceptable Daily Intake (mg kg-1bw day-1) | - | - | - | |
| ARfD - Acute Reference Dose (mg kg-1bw day-1) | - | - | - | |
| AAOEL - Acute Acceptable Operator Exposure Level (mg kg-1 bw day-1) | - | - | - | |
| AOEL - Acceptable Operator Exposure Level - Systemic (mg kg-1bw day-1) | - | - | - | |
| Dermal penetration studies (%) | - | - | - | |
| Dangerous Substances Directive 76/464 | List I | - | - | |
| Exposure Limits | - | - | - | |
| Exposure Routes | Public | Primary source of exposure is via diet but risk is low as substance is banned | ||
| Occupational | Risk via exhalation | |||
| European MRLs | Click here for the EU MRL pesticide database | |||
| Drinking Water Standards | - | - | - | |
| Drinking Water MAC (μg l-1) | - | - | - | |
Health issues:
| Carcinogen | Mutagen | Endocrine disrupter | Reproduction / development effects | Cholinesterase inhibitor | Neurotoxicant | |||
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| Respiratory tract irritant | Skin irritant | Skin sensitiser | Eye irritant | Phototoxicant | ||||
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| General human health issues | Extremely hazardous IARC group 2B carcinogen Endocrine issues - Severely disruption of thyroid hormone production |
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: Yes, known to cause a problem
: No, known not to cause a problem
: Possibly, status not identified
- : No data found
Handling issues:
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
|
| General |
No information available | |||
| CLP classification 2013 | Health: H350, H372 Environment: H400, H410 |
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| EC Risk Classification |
Carcinogen category 2: R45 T - Toxic: R48/25 N - Dangerous for the environment: R50, R53 |
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| EC Safety Classification |
S45, S53, S60, S61 | |||
| WHO Classification | Ia | - | Extremely hazardous | |
| US EPA Classification (formulation) | IV | - | Caution - Not acutely toxic | |
| UN Number | 2729 | |||
| Waste disposal & packaging |
- | |||
TRANSLATIONS
for hexachlorobenzene
| Language | Name |
| English | hexachlorobenzene |
| French | hexachlorobenzêne |
| German | Hexachlorbenzol |
| Danish | hexachlorbenzen |
| Italian | esaclorobenzene |
| Spanish | hexaclorobenceno |
| Greek | - |
| Slovenian | heksaklorbenzen |
| Polish | heksachlorobenzen |
| Swedish | - |
| Hungarian | - |
| Dutch | hexachloorbenzeen |
Record last updated: Wednesday 31 October 2018
Contact: aeru@herts.ac.uk