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115-29-7

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Basic Information
CAS No.: 115-29-7
Name: Thiosulfan
Article Data: 5
Molecular Structure:
Molecular Structure of 115-29-7 (Thiosulfan)
Formula: C9H6Cl6O3S
Molecular Weight: 406.929
Synonyms: 5-Norbornene-2,3-dimethanol,1,4,5,6,7,7-hexachloro-, cyclic sulfite (6CI,7CI,8CI);1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite;6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide;BIO 5462;Benzoepin;Beosit;Chlorthiepin;ENT 23979;Endocel;Endodhan;Thiosulfan;Endosulfan 35EC;Endosulphan;Endotaf;Ethiosulfan;HOE 2671;Hildan;Madhusulphan;Malix;Niagara 5462;OMS 570;Parrysulfan;Phaser;SD4314;Sialan;6,9-Methano-2,4,3-benzodioxathiepin,6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide;
EINECS: 204-079-4
Density: 1.94 g/cm3
Melting Point: 106 °C
Boiling Point: 449.7 °C at 760 mmHg
Flash Point: 225.8 °C
Solubility: <0.1 g/100 mL at 23 °C
Appearance: brown or colorless crystalline solid
Hazard Symbols: ToxicT,DangerousN,HarmfulXn,FlammableF
Risk Codes: 24/25-36-50/53-67-65-62-51/53-48/20-38-11
Safety: 28-36/37-45-60-61-62
Transport Information: UN 2761
PSA: 54.74000
LogP: 4.55550
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Consensus Reports

EPA Extremely Hazardous Substances List. NCI Carcinogenesis Bioassay (feed); No Evidence: mouse, rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-62 ,1977. .

Standards and Recommendations

OSHA PEL: TWA 0.1 mg/m3 (skin)
ACGIH TLV: TWA 0.1 mg/m3 (skin); Not Classifiable as a Human Carcinogen

Specification

The Endosulfan is an organic compound with the formula C9H6Cl6O3S. The systematic name of this chemical is 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide. With the CAS registry number 115-29-7, it is also named as thiodan. The product's categories are Insecticide; 2000/60/EC; Acaricides Alphabetic; EA - Eomethod Specific; 2000/60/ECMore...Close...; Acaricides Pesticides; Alpha sort; Cyc lodienes Pesticides & Metabolites; E; E-GAlphabetic; Endocrine Disruptors (Draft)Method Specific; EPA; European Community: ISO and DIN; Insecticides; Oeko-Tex Standard 100; Pesticides; Pesticides & Metabolites; Pesticides Method Specific. Besides, it should be stored in a cool dry and well-ventilated place.

Physical properties about Endosulfan are: (1)ACD/LogP: 3.13 ; (2)ACD/LogD (pH 5.5): 3.12; (3)ACD/LogD (pH 7.4): 3.12; (4)ACD/BCF (pH 5.5): 139.54; (5)ACD/BCF (pH 7.4): 139.54; (6)ACD/KOC (pH 5.5): 1193.4; (7)ACD/KOC (pH 7.4): 1193.4; (8)#H bond acceptors: 3; (9)Polar Surface Area: 54.74 Å2; (10)Index of Refraction: 1.674; (11)Molar Refractivity: 78.38 cm3; (12)Molar Volume: 208.7 cm3; (13)Polarizability: 31.07×10-24cm3; (14)Surface Tension: 74.9 dyne/cm; (15)Density: 1.94 g/cm3; (16)Flash Point: 225.8 °C; (17)Enthalpy of Vaporization: 68.12 kJ/mol; (18)Boiling Point: 449.7 °C at 760 mmHg; (19)Vapour Pressure: 7.42E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by hexachlorocyclopentadiene and 1,4 - butylene glycol by heating.

Uses of Endosulfan: it has been used in agriculture around the world to control insect pests including whiteflys, aphids, leafhoppers, Colorado potato beetles and cabbage worms. It has also seen use in wood preservation, home gardening, and tse-tse fly control, though it is not currently used for public health purposes. India is the world's largest consumer of endosulfan. Because of its unique mode of action, it is useful in resistance management;however, because it is non-specific, it can negatively impact populations of beneficial insects.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and toxic in contact with skin and if swallowed. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. Besides, this chemical is irritating to eyes and skin and toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It is danger of serious damage to health by prolonged exposure through inhalation and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It is possible risk of impaired fertility and may cause lung damage if swallowed. When you are using it, wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl\C1=C(/Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C2C3COS(=O)OC2
(2)InChI: InChI=1/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
(3)InChIKey: RDYMFSUJUZBWLH-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
(5)Std. InChIKey: RDYMFSUJUZBWLH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 35mg/kg (35mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
cat LC50 inhalation 90mg/m3/4H (90mg/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 2mg/kg (2mg/kg)   "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
dog LD50 oral 76700ug/kg (76.7mg/kg)   Pesticide Manual. Vol. 9, Pg. 332, 1991.
domestic animals - goat/sheep LD50 oral 26mg/kg (26mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Veterinariya. Veterinary Science. Vol. 59(12), Pg. 64, 1983.
duck LD50 oral 33mg/kg (33mg/kg)   Down to Earth. Vol. 35, Pg. 25, 1979.
hamster LD50 intraperitoneal 80mg/kg (80mg/kg)   Archives of Toxicology. Vol. 58, Pg. 152, 1986.
hamster LD50 oral 118mg/kg (118mg/kg)   European Journal of Toxicology and Environmental Hygiene. Vol. 7, Pg. 159, 1974.
mammal (species unspecified) LD50 skin 147mg/kg (147mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Veterinariya. Veterinary Science. Vol. 59(12), Pg. 64, 1983.
man LDLo oral 418uL/kg (0.418mL/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: PULSE RATE
American Journal of Emergency Medicine. Vol. 6, Pg. 510, 1988.
man LDLo oral 429uL/kg (0.429mL/kg) SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 34, Pg. 1232, 1992.
man LDLo oral 260mg/kg (260mg/kg) BRAIN AND COVERINGS: CHANGES IN SURFACE EEG

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"
Journal of Toxicology, Clinical Toxicology. Vol. 36, Pg. 345, 1998.
man TDLo oral 86mg/kg (86mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Toxicology, Clinical Toxicology. Vol. 26, Pg. 265, 1988.
mouse LD50 intraperitoneal 7mg/kg (7mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Bulletin of Environmental Contamination and Toxicology. Vol. 15, Pg. 708, 1976.
mouse LD50 oral 7360ug/kg (7.36mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
Toxicology Letters. Vol. 7, Pg. 221, 1981.
mouse LD50 unreported 32mg/kg (32mg/kg)   Tsitologiya i Genetika. Cytology and Genetics. For English translation, see CYGEDX. Vol. 16(1), Pg. 45, 1982.
rabbit LD50 oral 28mg/kg (28mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Veterinariya. Veterinary Science. Vol. 59(12), Pg. 64, 1983.
rabbit LD50 skin 90mg/kg (90mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

SKIN AND APPENDAGES (SKIN): "DERMATITIS, IRRITATIVE: AFTER SYSTEMIC EXPOSURE"
Journal of Occupational Medicine. Vol. 9, Pg. 35, 1967.
rabbit LD50 subcutaneous 360mg/kg (360mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: CONTRACTION (ISOLATED TISSUE)
Residue Reviews. Vol. 22, Pg. 1, 1968.
rat LC50 inhalation 80mg/m3/4H (80mg/m3)   Journal of Occupational Medicine. Vol. 9, Pg. 35, 1967.
rat LD50 intraperitoneal 8mg/kg (8mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: CONTRACTION (ISOLATED TISSUE)
Residue Reviews. Vol. 22, Pg. 1, 1968.
rat LD50 oral 18mg/kg (18mg/kg)   Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 9, 1966.
rat LD50 skin 34mg/kg (34mg/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 LD50 unreported 40mg/kg (40mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 267, 1971.
women TDLo intravenous 6uL/kg (0.006mL/kg) BEHAVIORAL: MUSCLE WEAKNESS

LIVER: LIVER FUNCTION TESTS IMPAIRED

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 447, 1996.