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Substance Name: Hexachlorocyclopentadiene
RN: 77-47-4
UNII: IP6ATU242I
InChIKey: VUNCWTMEJYMOOR-UHFFFAOYSA-N

Molecular Formula

  • C5-Cl6

Molecular Weight

  • 272.773
 

Classification Codes

Classification Codes

  • Acaricide
  • Agricultural Chemical
  • Herbicide
  • Noxae
  • Reproductive Effect
  • Skin / Eye Irritant
  • Teratogens
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 165
  • 2011 CERCLA Priority List, Rank: 163
  • Reportable Quantity (RQ) = 10 lb
  • Threshold Planning Quantity (TPQ) = 100 lb
  • TWA (0.01 ppm); Not classifiable as a human carcinogen

Names and Synonyms

Name of Substance

  • Hexachlorocyclopentadiene

Synonyms

  • 1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene
  • 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-
  • 1,3-Cyclopentadiene, hexachloro-
  • 4-05-00-00381 (Beilstein Handbook Reference)
  • AI3-15558
  • BRN 0976722
  • C 56
  • C-56
  • C56
  • Caswell No. 478
  • CCRIS 5919
  • Cyclopentadiene, hexachloro-
  • EINECS 201-029-3
  • EPA Pesticide Chemical Code 027502
  • Graphlox
  • HCCPD
  • Hexachlorcyklopentadien
  • Hexachlorcyklopentadien [Czech]
  • Hexachloro-1,3-cyclopentadiene
  • Hexachlorocyclopentadiene
  • HRS 1655
  • HSDB 4011
  • NCI-C55607
  • NSC 9235
  • Perchloro-1,3-cyclopentadiene
  • Perchlorocyclopentadiene
  • RCRA waste number U130
  • UNII-IP6ATU242I

Systematic Names

  • 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-
  • Hexachlorocyclopentadiene

Superlist Names

  • 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-
  • Hexachlorocyclopentadiene
  • Hexachlorocyclopentadiene [UN2646] [Poison]
  • RCRA waste no. U130
  • UN2646

Registry Numbers

CAS Registry Number

  • 77-47-4

FDA UNII

  • IP6ATU242I

System Generated Number

  • 0000077474

Structure Descriptors

InChI

1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8

InChIKey

VUNCWTMEJYMOOR-UHFFFAOYSA-N

Smiles

C1(C(=C(C(=C1Cl)Cl)Cl)Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 3200ppb/7H (3.2ppm)   AMA Archives of Industrial Health. Vol. 11, Pg. 459, 1955.
mouse LCLo inhalation 1500ppb/7H (1.5ppm)   Toxicology and Applied Pharmacology. Vol. 53, Pg. 497, 1980.
mouse LD50 oral 505mg/kg (505mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 967, 1975.
rabbit LCLo inhalation 1500ppb/7H (1.5ppm)   Toxicology and Applied Pharmacology. Vol. 53, Pg. 497, 1980.
rabbit LD50 skin 430mg/kg (430mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 308, 1969.
rabbit LDLo oral 420mg/kg (420mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 586, 1966.
rat LC50 inhalation 1600ppb/4H (1.6ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Toxicology and Environmental Health. Vol. 9, Pg. 743, 1982.
rat LD50 oral 315mg/kg (315mg/kg)   National Toxicology Program Technical Report Series. Vol. NTP-TR-437, Pg. 1994,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.00E+00 deg C   EXP
Boiling Point 239 deg C   EXP
log P (octanol-water) 5.04 (none)   EXP
Water Solubility 1.8 mg/L 25 EXP
Vapor Pressure 0.06 mm Hg 25 EXP
Henry's Law Constant 0.027 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.93E-13 cm3/molecule-sec 25 EST

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