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Substance Name: Hexachlorobenzene [BSI:ISO]
RN: 118-74-1
UNII: 4Z87H0LKUY
InChIKey: CKAPSXZOOQJIBF-UHFFFAOYSA-N

Note

  • An agricultural fungicide and seed treatment agent.

Molecular Formula

  • C6-Cl6

Molecular Weight

  • 284.784
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Fungicides, Industrial
  • Human Data
  • Mutation Data
  • Pesticides
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 93
  • 2011 CERCLA Priority List, Rank: 93
  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 10 lb
  • TWA 0.002 mg/m3; skin; Confirmed animal carcinogen with unknown relevance to humans

Names and Synonyms

Results Name

  • Hexachlorobenzene [BSI:ISO]

Name of Substance

  • Hexachlorobenzene
  • Hexachlorobenzene [BSI:ISO]

MeSH Heading

  • Hexachlorobenzene

Synonyms

  • 4-05-00-00670 (Beilstein Handbook Reference)
  • AI 3.01719
  • Amatin
  • Anticarie
  • Benzene, hexachloro-
  • BRN 1912585
  • Bunt-cure
  • Bunt-no-more
  • Caswell No. 477
  • CCRIS 325
  • CEKU C.B.
  • CO-OP Hexa
  • EINECS 204-273-9
  • ENT-1719
  • EPA Pesticide Chemical Code 061001
  • Esaclorobenzene
  • Esaclorobenzene [Italian]
  • Granox
  • Granox NM
  • HCB
  • Hexa C.B.
  • Hexa CB
  • Hexachlorbenzol
  • Hexachlorbenzol [German]
  • Hexachlorobenzene
  • HSDB 1724
  • Julin's carbon chloride
  • NO Bunt
  • NO Bunt 40
  • NO Bunt 80
  • NO Bunt liquid
  • NSC 9243
  • Pentachlorophenyl chloride
  • Perchlorobenzene
  • Phenyl perchloryl
  • RCRA waste number U127
  • Saatbeizfungizid
  • Saatbeizfungizid [German]
  • Sanocid
  • Sanocide
  • Smut-Go
  • Snieciotox
  • UNII-4Z87H0LKUY
  • Voronit C

Systematic Names

  • Benzene, 1,2,3,4,5,6-hexachloro-
  • Benzene, hexachloro-
  • Hexachlorobenzene

Superlist Names

  • Benzene, hexachloro-
  • Hexachlorobenzene
  • Hexachlorobenzene [UN2729] [Poison]
  • RCRA waste no. U127
  • UN2729

Registry Numbers

CAS Registry Number

  • 118-74-1

FDA UNII

  • 4Z87H0LKUY

Other Registry Number

  • 1135443-45-6

System Generated Number

  • 0000118741

Structure Descriptors

InChI

1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

CKAPSXZOOQJIBF-UHFFFAOYSA-N

Smiles

c1(c(c(c(Cl)c(c1Cl)Cl)Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LC50 inhalation 1600mg/m3 (1600mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 72, 1982.
cat LD50 oral 1700mg/kg (1700mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 72, 1982.
guinea pig LD50 oral > 3gm/kg (3000mg/kg)   Pesticide Manual. Vol. 9, Pg. 469, 1991.
mammal (species unspecified) LD50 oral > 5gm/kg (5000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
National Technical Information Service. Vol. PB288-416,
man LDLo unreported 220mg/kg (220mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
mouse LC50 inhalation 4gm/m3 (4000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 72, 1982.
mouse LD50 oral 4gm/kg (4000mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 72, 1982.
quail LD50 oral > 6400mg/kg (6400mg/kg)   Mededelingen van de Faculteit Landbouwwetenschappen, Rijksuniversiteit Gent. Communications of the Faculty of Agricultural Sciences, State University of Ghent. Vol. 38, Pg. 709, 1973.
rabbit LC50 inhalation 1800mg/m3 (1800mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 72, 1982.
rabbit LD50 oral 2600mg/kg (2600mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 72, 1982.
rat LC50 inhalation 3600mg/m3 (3600mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 72, 1982.
rat LD intraperitoneal > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 18, 1953.
rat LD50 oral 10gm/kg (10000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C163, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 231.8 deg C   EXP
Boiling Point 325 deg C   EXP
log P (octanol-water) 5.73 (none)   EXP
Water Solubility 0.0062 mg/L 25 EXP
Vapor Pressure 1.80E-05 mm Hg 25 EXP
Henry's Law Constant 0.0017 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.70E-14 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.