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CAS No.: | 30560-19-1 |
---|---|
Name: | Acephate |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C4H10NO3PS |
Molecular Weight: | 183.168 |
Synonyms: | 75 SP;Ortran;Acephat [German];Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester;Ortril;Acetamidophos;Acephate [ANSI:BSI:ISO];Chevron RE 12,420;Phosphoramidothioic acid,acetyl-,O,S-dimethyl ester;Chevron Orthene;Acephate, technical;EPA Pesticide Chemical Code 103301;O,S-Dimethylacetylphosphoroamidothioate;ENT 27822;N-(methoxy-methylsulfanyl-phosphoryl)acetamide; |
EINECS: | 250-241-2 |
Density: | 1.263 g/cm3 |
Melting Point: | 93 °C |
Boiling Point: | 2 °C |
Flash Point: | 2°C |
Solubility: | Soluble in water |
Appearance: | White solid |
Hazard Symbols: | Xn, F |
Risk Codes: | 22-36-20/21/22-11 |
Safety: | 2-36-36/37-16 |
Transport Information: | UN1648 3/PG 2 |
PSA: | 90.51000 |
LogP: | 1.63090 |
Conditions | Yield |
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With triethylamine In toluene at 5 - 30℃; for 5h; Reagent/catalyst; Temperature; Concentration; | 84% |
With hydrogenchloride In water for 14h; Reflux; | 102 g |
Conditions | Yield |
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With potassium carbonate In tetrahydrofuran at 60℃; | 63% |
Acephate
Conditions | Yield |
---|---|
With sulfuric acid Heating; | |
With sulfuric acid In dichloromethane at 60 - 70℃; for 2.5h; Large scale; | |
With sulfuric acid at 35 - 45℃; for 2.5h; Large scale; | 4826 kg |
Conditions | Yield |
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In dichloromethane Heating; |
Acephate
Conditions | Yield |
---|---|
With sodium iodide In acetone for 4h; Heating; | 100% |
Conditions | Yield |
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With 3-chloro-benzenecarboperoxoic acid |
Acephate
demethylthioacephate
Conditions | Yield |
---|---|
With water; triethylamine; 3-chloro-benzenecarboperoxoic acid | |
With 3,3-dimethyldioxirane In water-d2; acetone for 24h; |
Acephate
iso-butanol
A
methanesulfonic acid
B
sec-butyl methanesulfonate
C
demethylthioacephate
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid | A n/a B n/a C 52 % Spectr. D 48 % Spectr. |
Acephate
Conditions | Yield |
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With barium dihydroxide In dichloromethane |
The Orthene, with the CAS registry number 30560-19-1,is also known as O,S-Dimethyl acetylphosphoramidothioate; N-Acetyl-phosphoramidothioic acid O,S-dimethyl ester. It belongs to the product categories of Insecticides;Organophorous;Pesticides&Metabolites. This chemical's molecular formula is C4H10NO3PS and molecular weight is 183.16.Its EINECS number is 250-241-2. What's more,Its systematic name is Acephate. It is a White Solid which is used as insecticide.Acephate is sold as a soluble powder, as pressurized aerosol, as emulsifiable concentrates, and in tree injection systems and granular formulations.The Orthene is harmful by inhalation, in contact with skin and if swallowed and irritating to the eyes.It need keep out of the reach of children .When you use it ,wear suitable protective clothing and gloves and keep away from sources of ignition - No smoking.
Physical properties about L-Lysine Orthene are:
(1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.85; (4)ACD/LogD (pH 7.4): -0.85; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 8.22; (8)ACD/KOC (pH 7.4): 8.21; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 40.821 cm3; (14)Molar Volume: 144.977 cm3; (15)Surface Tension: 40.9529991149902 dyne/cm; (16)Density: 1.263 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(NP(=O)(OC)SC)C;
(2)Std. InChI:InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7);
(3)Std. InChIKey:YASYVMFAVPKPKE-UHFFFAOYSA-N.
The toxicity data of Orthene are as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
bird - domestic | LD50 | oral | 106mg/kg (106mg/kg) | BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archives of Environmental Contamination and Toxicology. Vol. 10, Pg. 185, 1981. |
bird - wild | LD50 | oral | 140mg/kg (140mg/kg) | Pesticide Manual. Vol. 9, Pg. 4, 1991. | |
chicken | LD50 | oral | 800mg/kg (800mg/kg) | Neurotoxicology. Vol. 11, Pg. 483, 1990. | |
chicken | LD50 | unreported | 568mg/kg (568mg/kg) | Defense des Vegetaux. Vol. 28, Pg. 231, 1974. | |
dog | LDLo | oral | 681mg/kg (681mg/kg) | Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 1, 1973. | |
duck | LD50 | oral | 350mg/kg (350mg/kg) | "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 4, 1976. | |
mammal (species unspecified) | LD50 | oral | 321mg/kg (321mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 13, Pg. 483, 1984. | |
mouse | LCLo | inhalation | 2200mg/m3/5H (2200mg/m3) | Toxicology and Applied Pharmacology. Vol. 45, Pg. 232, 1978. | |
mouse | LD50 | oral | 233mg/kg (233mg/kg) | Zhonghua Yufangyixue Zazhi. Chinese Journal of Preventive Medicine. Vol. 14, Pg. 226, 1980. | |
rabbit | LD50 | skin | 2gm/kg (2000mg/kg) | "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976. | |
rat | LD50 | oral | 700mg/kg (700mg/kg) | United States Patent Document. Vol. #3716600, | |
rat | LD50 | skin | > 2500mg/kg (2500mg/kg) | Fundamental and Applied Toxicology. Vol. 7, Pg. 299, 1986. |