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Substance Name: Isobenzan [ISO:BSI]
RN: 297-78-9
UNII: 8IAN133486
InChIKey: LRWHHSXTGZSMSN-UHFFFAOYSA-N

Molecular Formula

  • C9-H4-Cl8-O

Molecular Weight

  • 411.7536
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Insecticide
  • Out-Dated Pesticide
  • Tumor Data

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 100/10000 lb
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Names and Synonyms

Results Name

  • Isobenzan [ISO:BSI]

Name of Substance

  • Isobenzan

Synonyms

  • 1,3,4,5,6,7,10,10-Octachloro-4,7-endo-methylene-4,7,8,9-tetrahydrophthalan
  • 1,3,4,5,6,7,10,10-Octachloro-4,7-endomethylene-4,7,8,9-tetrahydrophthalan
  • 1,3,4,5,6,7,8,8-Octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran
  • 1,3,4,5,6,7,8,8-Octachloro-2-oxa-3a,4,7,7a-tetrahydro-4,7-methanoindene
  • 1,3,4,5,6,7,8,8-Octachloro-4,7-methylene-3a,4,7,7a-tetrahydroisobenzofuran
  • 1,3,4,5,6,8,8-Octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran
  • 4,7-Methanoisobenzofuran, 1,3,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-
  • 4,7-Methanoisobenzofuran, 1,3,4,5,7,8,8-octachloro-1,3,3a,4,7,7a-hexahydro-
  • AI3-24880
  • AI3-25545
  • Bas-4402
  • BRN 1292346
  • Caswell No. 609
  • CP 14,957
  • EINECS 206-045-4
  • ENT 25,545
  • ENT 25,545-X
  • EPA Pesticide Chemical Code 058501
  • HSDB 6388
  • Isobenzan
  • Isobenzan [ISO:BSI]
  • Octachloro-hexahydro-methanoisobenzofuran
  • Octachlorohexahydro-4,7-methanoisobenzofuran
  • OMS 206
  • Omtan
  • Preparation 948
  • R 6700
  • SD 4402
  • Shell 4402
  • Shell WL 1650
  • Telodrin
  • UNII-8IAN133486
  • WL 1650

Systematic Names

  • 4,7-Methanoisobenzofuran, 1,3,4,5,6,7,8,8-octachloro-1,3,3a,4,7,7a-hexahydro-
  • Isobenzan

Superlist Name

  • Isobenzan

Registry Numbers

CAS Registry Number

  • 297-78-9

FDA UNII

  • 8IAN133486

System Generated Number

  • 0000297789

Structure Descriptors

InChI

1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H

InChIKey

LRWHHSXTGZSMSN-UHFFFAOYSA-N

Smiles

C12(C3C(C(C1(Cl)Cl)(C(=C2Cl)Cl)Cl)C(OC3Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 1mg/kg (1mg/kg)   ASTM Special Technical Publication. Vol. (680), Pg. 157, 1979.
cat LD50 oral 5mg/kg (5mg/kg)   Toxicology and Applied Pharmacology. Vol. 14, Pg. 556, 1969.
chicken LD50 oral 2000ug/kg (2mg/kg)   "Aldrin Dieldrin Endrin and Telodrin: An Epidemiological and Toxicological Study of Long-Ter Occupational Exposure," Jager, K.W., New York, Elsevier Science Pub. Co., 1970Vol. -, Pg. 88, 1970.
dog LD50 oral 1mg/kg (1mg/kg)   "Aldrin Dieldrin Endrin and Telodrin: An Epidemiological and Toxicological Study of Long-Ter Occupational Exposure," Jager, K.W., New York, Elsevier Science Pub. Co., 1970Vol. -, Pg. 88, 1970.
duck LD50 oral 1800ug/kg (1.8mg/kg)   Toxicology and Applied Pharmacology. Vol. 14, Pg. 556, 1969.
guinea pig LD50 oral 2000ug/kg (2mg/kg)   "Aldrin Dieldrin Endrin and Telodrin: An Epidemiological and Toxicological Study of Long-Ter Occupational Exposure," Jager, K.W., New York, Elsevier Science Pub. Co., 1970Vol. -, Pg. 88, 1970.
guinea pig LD50 skin 2mg/kg (2mg/kg)   "Aldrin Dieldrin Endrin and Telodrin: An Epidemiological and Toxicological Study of Long-Ter Occupational Exposure," Jager, K.W., New York, Elsevier Science Pub. Co., 1970Vol. -, Pg. 88, 1970.
hamster LD50 oral 7500ug/kg (7.5mg/kg)   Toxicology and Applied Pharmacology. Vol. 14, Pg. 556, 1969.
mouse LD50 intraperitoneal 8170ug/kg (8.17mg/kg)   "Aldrin Dieldrin Endrin and Telodrin: An Epidemiological and Toxicological Study of Long-Ter Occupational Exposure," Jager, K.W., New York, Elsevier Science Pub. Co., 1970Vol. -, Pg. 88, 1970.
mouse LD50 intravenous 2900ug/kg (2.9mg/kg)   Bochu Kagaku. Scientific Pest Control. Vol. 32, Pg. 46, 1967.
mouse LD50 oral 8400ug/kg (8.4mg/kg)   Journal of Economic Entomology. Vol. 65, Pg. 632, 1972.
pigeon LD50 oral 10ug/kg (0.01mg/kg)   ASTM Special Technical Publication. Vol. (680), Pg. 157, 1979.
quail LD50 oral 4210ug/kg (4.21mg/kg)   ASTM Special Technical Publication. Vol. (680), Pg. 157, 1979.
rabbit LD50 oral 4mg/kg (4mg/kg)   "Aldrin Dieldrin Endrin and Telodrin: An Epidemiological and Toxicological Study of Long-Ter Occupational Exposure," Jager, K.W., New York, Elsevier Science Pub. Co., 1970Vol. -, Pg. 88, 1970.
rabbit LD50 skin 12mg/kg (12mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 1099, 1966.
rat LD50 intraperitoneal 3560ug/kg (3.56mg/kg)   "Aldrin Dieldrin Endrin and Telodrin: An Epidemiological and Toxicological Study of Long-Ter Occupational Exposure," Jager, K.W., New York, Elsevier Science Pub. Co., 1970Vol. -, Pg. 88, 1970.
rat LD50 intravenous 1800ug/kg (1.8mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

ENDOCRINE: HYPERGLYCEMIA

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 232, Pg. 227, 1957.
rat LD50 oral 4800ug/kg (4.8mg/kg)   Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 13, 1966.
rat LD50 skin 5mg/kg (5mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.
rat LD50 unreported 5mg/kg (5mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 397, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 121 deg C   EXP
log P (octanol-water) 4.510 (none)   EST
Water Solubility 0.095 mg/L 25 EST
Vapor Pressure 2.92E-06 mm Hg 25 EXP
Henry's Law Constant 5.88E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.67E-12 cm3/molecule-sec 25 EST

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