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13071-79-9

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Basic Information
CAS No.: 13071-79-9
Name: Terbufos
Molecular Structure:
Molecular Structure of 13071-79-9 (Terbufos)
Formula: C9H21 O2 P S3
Molecular Weight: 288.436
Synonyms: Phosphorodithioicacid, S-[(tert-butylthio)methyl] O,O-diethyl ester (6CI,7CI,8CI); Methanethiol,(tert-butylthio)-, S-ester with O,O-diethyl phosphorodithioate (8CI); AC 92100;Counter; Counter 15G; Cyanater; O,O-Diethyl S-(tert-butylthio)methylphosphorodithioate; O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl]phosphorodithioate; S-[(tert-Butylthio)methyl] O,O-diethyl phosphorodithioate;Terbufos; Terbuphos; Terbutifos
EINECS: 235-963-8
Density: 1.105
Melting Point: -29 ºC
Boiling Point: 69 ºC (0.01 mmHg)
Flash Point: 88 ºC
Solubility: Insoluble
Appearance: Technical product is a clear, colorless to pale yellow liquid.
Hazard Symbols:
Risk Codes: R27/28;R50/53   
Safety: Deadly poison by ingestion and skin contact. An insecticide. When heated to decomposition it emits very toxic fumes of SOx and POx. See also ESTERS.
Transport Information: UN 2810
PSA: 110.96000
LogP: 5.15690
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Chemistry

Molecular Formula: C9H21O2PS3
Molar mass: 288.4306 g/mol
EINECS: 202-353-8
Density: 1.154 g/cm3
Flash Point: 132.3 °C
Index of Refraction: 1.531
Boiling Point: 319.6 °C at 760 mmHg
Vapour Pressure: 0.000628 mmHg at 25°C
Melting point: -29°C
Storage temp: Approx 4°C
Water solubility: Insoluble
Appearance: clear and colorless to pale yellow liquid
Product categories: Insecticides;Nematicides Pesticides;Alpha sort;Organophorous Alphabetic;Pesticides & Metabolites Specific;Organophorous Pesticides & Metabolites;Q-ZAlphabetic;European Community: ISO and DIN
Structure of Terbufos (13071-79-9):
       
XLogP3-AA: 4.5
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name: Tert-butylsulfanylmethylsulfanyl-diethoxy-thioxo-phosphorane 
SMILES: S=P(OCC)(SCSC(C)(C)C)OCC 
InChI: InChI=1/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3 
InChIKey: XLNZEKHULJKQBA-UHFFFAOYAH 
Std. InChI: InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3 
Std. InChIKey: XLNZEKHULJKQBA-UHFFFAOYSA-N

Uses

 Terbufos (13071-79-9) is used as a soil insecticide.

Toxicity Data With Reference

1.    

orl-rat LD50:1600 µg/kg

    MEIEDD    Merck Index. 10 (1983),1310.
2.    

orl-mus LD50:3500 µg/kg

    FMCHA2    Farm Chemicals Handbook .(Meister Publishing, 37841 Euclid Ave.,Willoughy, OH.:  44094)1983,C63.
3.    

orl-dog LD50:4500 µg/kg

    FMCHA2    Farm Chemicals Handbook .(Meister Publishing, 37841 Euclid Ave.,Willoughy, OH.:  44094)1983,C63.
4.    

skn-rbt LD50:1100 µg/kg/24H

    FMCHA2    Farm Chemicals Handbook .(Meister Publishing, 37841 Euclid Ave.,Willoughy, OH.:  44094)1983,C63.
5.    

orl-qal LD50:15 mg/kg

    EESADV    Ecotoxicology and Environmental Safety. 8 (1984),551.

Consensus Reports

EPA Genetic Toxicology Program. EPA Extremely Hazardous Substances List.

Safety Profile

Deadly poison by ingestion and skin contact. An insecticide. When heated to decomposition it emits very toxic fumes of SOx and POx. See also ESTERS.
 

Hazard Codes: T+;N,
Risk Statements:
27:  Very Toxic in contact with skin
28:  Very Toxic if swallowed
50:  Very Toxic to aquatic organisms
53:  May cause long-term adverse effects in the aquatic environment
Safety Statements:
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60:  This material and/or its container must be disposed of as hazardous waste
61:  Avoid release to the environment. Refer to special instructions safety data sheet

Standards and Recommendations

ACGIH TLV: TWA 0.01 mg/m3 (skin); Not Classifiable as a Human Carcinogen

Specification

 Terbufos (13071-79-9) also can be called Counter ; O,O-Diethyl-S-{[(2-methyl-2-propanyl)sulfanyl]methyl}dithiophosphat ; Dithiophosphate de O,O-diéthyle et de S-{[(2-méthyl-2-propanyl)sulfanyl]méthyle} and Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester .