Hexachlorobenzene (Ref: ENT 1719)	Last updated: 09/02/2021
(Also known as: HCB; perchlorobenzene)

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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

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

UK regulatory status

UK COPR regulatory status	Not approved
Date COPR inclusion expires	Expired
UK LERAP status	No UK approval for use

EC Regulation 1107/2009 (repealing 91/414)

EC Regulation 1107/2009 status	Not approved
Dossier rapporteur/co-rapporteur	-
Date EC 1107/2009 inclusion expires	Expired
EU Candidate for substitution (CfS)	-
Listed in EU database	Yes
Approved for use (✓) under EC 1107/2009 in the following EU Member States	ATAustria BEBelgium BGBulgaria CYCyprus CZCzech Republic DEGermany DKDenmark EEEstonia ELGreece                   ESSpain FIFinland FRFrance HRCroatia HUHungary IEIreland ITItaly LTLithuania LULuxembourg                   LVLatvia MTMalta NLNetherlands PLPoland PTPortugal RORomania SESweden SISlovenia SKSlovakia

Also used in

Also used in	-

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	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 µg l⁻¹; max measured 0.05 µg l⁻¹ UK Statutory standard for the protection of aquatic life in inland, coastal and territorial waters: 0.03 µg l⁻¹ as annual average Other standards are also available
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

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	Anticarie Bent-cure Granero No Bunt
Example products using this active	Bayer
Formulation and application details	Often used as a seed dressing.

ENVIRONMENTAL FATE

Property		Value	Source; quality score; and other information	Interpretation
Solubility - In water at 20 °C (mg l⁻¹)		0.0047	G4 G = Extension Toxicology network database EXTOXNET (click here ) 4 = Verified data	Low
Solubility - In organic solvents at 20 °C (mg l⁻¹)		-	-	-
Melting point (°C)		226	L3 L = Pesticide manuals and hard copy reference books / other sources 3 = Unverified data of known source	-
Boiling point (°C)		325	V3 V = ChemID online databases / IPCS INCHEM (ChemID; IPCS INCHEM ) 3 = Unverified data of known source	-
Degradation point (°C)		-	-	-
Flashpoint (°C)		242	V3 V = ChemID online databases / IPCS INCHEM (ChemID; IPCS INCHEM ) 3 = Unverified data of known source	-
Octanol-water partition coefficient at pH 7, 20 °C	P	8.51 X 1003	Calculated	-
	Log P	3.93	H4 H = The US ARS pesticide properties database (click here ) 4 = Verified data	High
Bulk density (g ml⁻¹)		2.044	L3 L = Pesticide manuals and hard copy reference books / other sources 3 = Unverified data of known source	-
Dissociation constant pKa) at 25 °C		-	-	-
		-
Vapour pressure at 20 °C (mPa)		1.45	G4 G = Extension Toxicology network database EXTOXNET (click here ) 4 = Verified data	Low volatility
Henry's law constant at 25 °C (Pa m³ mol⁻¹)		1.03 X 1001	H4 H = The US ARS pesticide properties database (click here ) 4 = Verified data	Moderately volatile
Maximum UV-vis absorption L mol⁻¹ cm⁻¹		-	-	-
Surface tension (mN m⁻¹)		-	-	-

Degradation

Property		Value	Source; quality score; and other information	Interpretation
General biodegradability		-
Soil degradation (days) (aerobic)	DT₅₀ (typical)	2000	G3 G = Extension Toxicology network database EXTOXNET (click here ) 3 = Unverified data of known source	Very persistent
	DT₅₀ (lab at 20 °C)	-	-	-
	DT₅₀ (field)	-	-	-
	DT₉₀ (lab at 20 °C)	-	-	-
	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 R = Peer reviewed scientific publications 3 = Unverified data of known source	-
	Note	Lettuce leaves, n=1
Aqueous photolysis DT₅₀ (days) at pH 7	Value	-	-	-
	Note	-
Aqueous hydrolysis DT₅₀ (days) at 20 °C and pH 7	Value	-	-	-
	Note	-
Water-sediment DT₅₀ (days)		-	-	-
Water phase only DT₅₀ (days)		-	-	-

Soil adsorption and mobility

Property		Value	Source; quality score; and other information	Interpretation
Linear	Kd	-	G3 G = Extension Toxicology network database EXTOXNET (click here ) 3 = Unverified data of known source	Non-mobile
	Koc	50000
	Notes and range	-
Freundlich	Kf	-	-	-
	Kfoc	-
	1/n	-
	Notes and range	-
pH sensitivity		-

Fate indices

Property		Value	Source; quality score; and other information	Interpretation
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		High	Calculated	-
Potential for loss via drain flow		Non-mobile	Calculated	-

ECOTOXICOLOGY

Property		Value	Source; quality score; and other information	Interpretation
Bio-concentration factor	BCF (l kg⁻¹)	35000	A3 A = EU regulatory and evaluation data as published by EC, EFSA (RAR, DAR & Conclusion dossiers), EMA (e.g. EU Annex III PIC DGD) (EU - Pesticides database; EFSA Scientific Publications ) 3 = Unverified data of known source (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 L = Pesticide manuals and hard copy reference books / other sources 3 = Unverified data of known source Rat	Low
Mammals - Short term dietary NOEL	(mg kg⁻¹)	-	-	-
	(ppm diet)	-		-
Mammals - Chronic 21d NOAEL (mg kg⁻¹ bw d⁻¹)		-	-	-
Birds - Acute LD₅₀ (mg kg⁻¹)		> 575	G4 G = Extension Toxicology network database EXTOXNET (click here ) 4 = Verified data Colinus virginianus	Moderate
Birds - Short term dietary (LC₅₀/LD₅₀)		-	-	-
Birds - Chronic 21d NOEL (mg kg⁻¹ bw d⁻¹)		-	-	-
Fish - Acute 96 hour LC₅₀ (mg l⁻¹)		0.03	F4 F = U.S. EPA ECOTOX database / U.S. EPA pesticide fate database / Miscellaneous WHO documents (US EPA Databases Related to Pesticide Risk Assessment ) 4 = Verified data Oncorhynchus mykiss	High
Fish - Chronic 21 day NOEC (mg l⁻¹)		> 0.0048	P3 P = Other governments and regulators 3 = Unverified data of known source Pimephales promelas 32 day	High
Aquatic invertebrates - Acute 48 hour EC₅₀ (mg l⁻¹)		0.5	F2 F = U.S. EPA ECOTOX database / U.S. EPA pesticide fate database / Miscellaneous WHO documents (US EPA Databases Related to Pesticide Risk Assessment ) 2 = Unverified data of unknown source Daphnia magna 24 hour	Moderate
Aquatic invertebrates - Chronic 21 day NOEC (mg l⁻¹)		> 0.003	P4 P = Other governments and regulators 4 = Verified data Daphnia magna	High
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 F = U.S. EPA ECOTOX database / U.S. EPA pesticide fate database / Miscellaneous WHO documents (US EPA Databases Related to Pesticide Risk Assessment ) 4 = Verified data Scenedesmus abundans	Moderate
Algae - Chronic 96 hour NOEC, growth (mg l⁻¹)		-	-	-
Honeybees (Apis spp.)	Contact acute LD₅₀ (worst case from 24, 48 and 72 hour values - μg bee⁻¹)	-	-	-
	Oral acute LD₅₀ (worst case from 24, 48 and 72 hour values - μg bee⁻¹)	-	-	-
	Unknown mode acute LD₅₀ (worst case from 24, 48 and 72 hour values - μg bee⁻¹)	-	-	-
Bumblebees (Bombus spp.)	Contact acute LD₅₀ (worst case from 24, 48 and 72 hour values - μg bee⁻¹)	-	-	-
		-
	Oral acute LD₅₀ (worst case from 24, 48 and 72 hour values - μg bee⁻¹)	-	-	-
		-
Mason bees (Osmia spp.)	Contact acute LD₅₀ (worst case from 24, 48 and 72 hour values - μg bee⁻¹)	-	-	-
	Oral acute LD₅₀ (worst case from 24, 48 and 72 hour values - μg bee⁻¹)	-	-	-
Other pollinators (1)	Acute LD₅₀ (worst case from 24, 48 and 72 hour values - μg insect⁻¹)	-	-	-
	Mode of exposure	-
Other pollinators (2)	Acute LD₅₀ (worst case from 24, 48 and 72 hour values - μg insect⁻¹)	-	-	-
	Mode of exposure	-
Earthworms - Acute 14 day LC₅₀ (mg kg⁻¹)		> 1000	F4 F = U.S. EPA ECOTOX database / U.S. EPA pesticide fate database / Miscellaneous WHO documents (US EPA Databases Related to Pesticide Risk Assessment ) 4 = Verified data Eisenia foetida	Low
Earthworms - Chronic NOEC, reproduction (mg kg⁻¹)		-	-	-
Other soil macro-organisms	Acute LC₅₀ (mg kg⁻¹)	-	-	-
	Chronic NOEC (mg kg⁻¹)	-	-	-
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

General

Property		Value	Source; quality score; and other information	Interpretation
Threshold of Toxicological Concern (Cramer Class)		High (class III)	-	-
Mammals - Acute oral LD₅₀ (mg kg⁻¹)		> 10000	L3 L = Pesticide manuals and hard copy reference books / other sources 3 = Unverified data of known source 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⁻¹ bw day⁻¹)		-	-	-
ARfD - Acute Reference Dose (mg kg⁻¹ bw day⁻¹)		-	-	-
AAOEL - Acute Acceptable Operator Exposure Level (mg kg⁻¹ bw day⁻¹)		-	-	-
AOEL - Acceptable Operator Exposure Level - Systemic (mg kg⁻¹ bw day⁻¹)		-	-	-
Dermal penetration studies (%)		-	-	-
Dangerous Substances Directive 76/464		List I	-	-
Exposure Routes	Public	Primary source of exposure is via diet but risk is low as substance is banned
	Occupational	Risk via exhalation
MRLs	European	EU MRL pesticide database
	Notes	-
Drinking Water Standards		-	-	-
Drinking Water MAC (μg l⁻¹)		-	-	-

Health issues

Specific human health issues		Carcinogen Genotoxic Endocrine disruptor ✓Yes, known to cause a problem A0 A = Chromosome aberration (EFSA database) 0 = No data ; B0 B = DNA damage/repair (EFSA database) 0 = No data ; C0 C = Gene mutation (EFSA database) 0 = No data ; D0 D = Genome mutation (EFSA database) 0 = No data ; E3 E = Unspecified genotoxicity type (miscellaneous data source) 3 = Negative ✓Yes, known to cause a problem Reproduction / development effects Acetyl cholinesterase inhibitor Neurotoxicant ?Possibly, status not identified XNo, known not to cause a problem No data found Respiratory tract irritant Skin irritant Skin sensitiser No data found ✓Yes, known to cause a problem No data found Eye irritant Phototoxicant   XNo, known not to cause a problem No data found
General human health issues		Extremely hazardous IARC group 2B carcinogen Endocrine issues - Severely disruption of thyroid hormone production

Handling issues

Property	Value and interpretation
General	No information available
CLP classification 2013	Health: H350, H372 Environment: H400, H410
EC Risk Classification	Carcinogen category 2: R45 T - Toxic: R48/25 N - Dangerous for the environment: R50, R53
EC Safety Classification	S45, S53, S60, S61
WHO Classification	Ia (Extremely hazardous)
UN Number	2729
Waste disposal & packaging	-

TRANSLATIONS

Language	Name
English	hexachlorobenzene
French	hexachlorobenzène
German	Hexachlorbenzol
Danish	hexachlorbenzen
Italian	esaclorobenzene
Spanish	hexaclorobenceno
Greek	-
Polish	heksachlorobenzen
Swedish	-
Hungarian	-
Dutch	hexachloorbenzeen

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Record last updated:	09/02/2021
Contact:	aeru@herts.ac.uk
Please cite as:	Lewis, K.A., Tzilivakis, J., Warner, D. and Green, A. (2016) An international database for pesticide risk assessments and management. Human and Ecological Risk Assessment: An International Journal, 22(4), 1050-1064. DOI: 10.1080/10807039.2015.1133242