Name: Acephate
SKU: 30560-19-1

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Basic Information

Molecular Structure:
CAS No.:	30560-19-1
Name:	Acephate

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

Synthetic route

: 60-35-5
acetamide

: 3711-50-0
phosphorochloridothioic acid,O,S-dimethyl ester

: 30560-19-1
Acephate

Conditions

Conditions	Yield
With triethylamine In toluene at 5 - 30℃; for 5h; Reagent/catalyst; Temperature; Concentration;	84%
With hydrogenchloride In water for 14h; Reflux;	102 g

: 60-35-5
acetamide

: 2524-03-0
dimethyl chlorothiophosphate

: 30560-19-1
Acephate

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran at 60℃;	63%

: calcium salt of O,S-dimethyl-N-acetylphosphoroamidothioate

: 30560-19-1
Acephate

: 10265-92-6
Mio

: 108-24-7
acetic anhydride

: 30560-19-1
Acephate

Conditions

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

: 42072-27-5
O,O-dimethyl N-acetylphosphoramidothioate

: 77-78-1
dimethyl sulfate

: 30560-19-1
Acephate

Conditions

Conditions	Yield
In dichloromethane Heating;

: 30560-19-1
Acephate

: C3H7NO3PS(1-)*Na(1+)

Conditions

Conditions	Yield
With sodium iodide In acetone for 4h; Heating;	100%

: 64-17-5
ethanol

: 30560-19-1
Acephate

A: 75-75-2
methanesulfonic acid

B: Acetyl-phosphoramidic acid ethyl ester methyl ester

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid

...Expand

: 30560-19-1
Acephate

: 82452-61-7
demethylthioacephate

Conditions

Conditions	Yield
With water; triethylamine; 3-chloro-benzenecarboperoxoic acid
With 3,3-dimethyldioxirane In water-d2; acetone for 24h;

: 30560-19-1
Acephate

: 78-92-2, 15892-23-6
iso-butanol

A: 75-75-2
methanesulfonic acid

B: 16156-54-0
sec-butyl methanesulfonate

C: 82452-61-7
demethylthioacephate

D: Acetyl-phosphoramidic acid sec-butyl ester methyl ester

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid	A n/a B n/a C 52 % Spectr. D 48 % Spectr.

...Expand

: 30560-19-1
Acephate

: Barium Salt of O,S-Dimethyl-N-Acetylphosphoroamidothioate

Conditions

Conditions	Yield
With barium dihydroxide In dichloromethane

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Specification

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.

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Specification