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Basic Information
CAS No.: 3383-96-8
Name: Temephos
Molecular Structure:
Molecular Structure of 3383-96-8 (Temephos)
Formula: C16H20O6P2S3
Molecular Weight: 466.477
Synonyms: Nephis 1G;O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene phosphorothioate;Temefos;Phosphorothioic acid,Op,Op'-(thiodi-4,1-phenylene) Op,Op,Op',Op'-tetramethyl ester;Phosphorothioicacid, O,O-dimethyl ester, O,O-diester with 4,4'-thiodiphenol (7CI);Phosphorothioic acid, O,O'-(thiodi-4,1-phenylene) O,O,O',O'-tetramethyl ester(9CI);Phosphorothioic acid, O,O'-(thiodi-p-phenylene) O,O,O',O'-tetramethylester (8CI);AC 52160;Abate;Abathion;Azai-SS;Biothion;Biothon;Difenphos;Difos;Diphos;
EINECS: 222-191-1
Density: 1.4 g/cm3
Melting Point: 30-31 °C
Boiling Point: 518.5 °C at 760 mmHg
Flash Point: 267.4 °C
Solubility: 0.003 g/100 mL in water
Appearance: White crystalline solid or liquid.
Hazard Symbols: HarmfulXn, DangerousN
Risk Codes: 21/22-51/53
Safety: 22-37-61-60
Transport Information: UN 3077
PSA: 164.48000
LogP: 6.93120
Synthetic route
2664-63-3

4,4'-Thiodiphenol

2524-03-0

dimethyl chlorothiophosphate

3383-96-8

temephos

Conditions
ConditionsYield
With sodium methylate In chloroform; butanone
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    Temephos Application:Chemical pesticides

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA Total Dust: 10 mg/m3; Respirable Fraction: 5 mg/m3
ACGIH TLV: TWA 10 mg/m3

Specification

Temephos, its cas register number is 3383-96-8. It also can be called Biothion; Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide; Bithion; Difenphos; Difos; Diphos; Diphos (pesticide); EPA Pesticide Chemical Code 059001; Etidronsaeure; Lypor; Nephis; Nimitex; O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate); Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate; Procida; Swebat; Temefosum; Tetramethyl O,O'-thiodi-p-phenylene phosphorothioate. Temephos is a White crystalline solid or liquid. Temefos or Temephos(CAS NO.3383-96-8) (trade name Abate) is an organophosphate larvicide used to treat water infested with disease-carrying fleas. It is also used to control mosquito, midge, and black fly larvae. Temephos is also used in the Guinea Worm Eradication program to kill water fleas that carry guinea worm larvae.

Physical properties about Temephos are: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.96; (4)ACD/LogD (pH 7.4): 5.96; (5)ACD/BCF (pH 5.5): 19934.28; (6)ACD/BCF (pH 7.4): 19934.28; (7)ACD/KOC (pH 5.5): 41614.13; (8)ACD/KOC (pH 7.4): 41614.13; (9)#H bond acceptors: 6; (10)#Freely Rotating Bonds: 10; (11)Index of Refraction: 1.613; (12)Molar Refractivity: 115.908 cm3; (13)Molar Volume: 333.17 cm3; (14)Polarizability: 45.95 10-24cm3; (15)Surface Tension: 61.8219985961914 dyne/cm; (16)Density: 1.4 g/cm3; (17)Flash Point: 267.385 °C; (18)Enthalpy of Vaporization: 76.123 kJ/mol; (19)Boiling Point: 518.508 °C at 760 mmHg

When you are using this chemical, please be cautious about it as the following:
1. Do not breathe dust;
2. Wear suitable gloves;
3. Avoid release to the environment. Refer to special instructions safety data sheet;
4. This material and/or its container must be disposed of as hazardous waste;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3;
(2)InChIKey=WWJZWCUNLNYYAU-UHFFFAOYSA-N;
(3)SmilesP(Oc1ccc(Sc2ccc(OP(OC)(OC)=S)cc2)cc1)(OC)(OC)=S;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 32mg/kg (32mg/kg)   Toxicology and Applied Pharmacology. Vol. 20, Pg. 57, 1971.
chicken LD subcutaneous > 1gm/kg (1000mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Archives of Environmental Health. Vol. 14, Pg. 283, 1967.
duck LD50 oral 79mg/kg (79mg/kg)   Toxicology and Applied Pharmacology. Vol. 20, Pg. 57, 1971.
mammal (species unspecified) LD50 oral 4700mg/kg (4700mg/kg)   Journal of the American Veterinary Medical Association. Vol. 152, Pg. 282, 1968.
mammal (species unspecified) LD50 unreported 4gm/kg (4000mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 338, 1971.
mouse LD50 intraperitoneal 683mg/kg (683mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 297, 1969.
mouse LD50 oral 223mg/kg (223mg/kg)   Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 1, 1966.
pigeon LD50 oral 50mg/kg (50mg/kg)   Toxicology and Applied Pharmacology. Vol. 20, Pg. 57, 1971.
quail LD50 oral 75mg/kg (75mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
rabbit LD50 oral 313mg/kg (313mg/kg)   Veterinariya. Veterinary Science. Vol. 60(11), Pg. 63, 1984.
rabbit LD50 skin 970mg/kg (970mg/kg)   Toxicological Information on Cyanamid Insecticides. Vol. 8/1966,
rat LD50 intraperitoneal 912mg/kg (912mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 297, 1969.
rat LD50 oral 1gm/kg (1000mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 493, 1973.
rat LD50 skin 1370mg/kg (1370mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.
rat LD50 subcutaneous 2302mg/kg (2302mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 297, 1969.
rat LD50 unreported 8600mg/kg (8600mg/kg)   Travaux de la Societe de Pharmacie de Montpellier. Vol. 37(1), Pg. 45, 1977.