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Conditions | Yield |
---|---|
With N,N'-dimethylbenzylamine at 60 - 90℃; for 3h; Reagent/catalyst; Temperature; | 99% |
In Dimethyldisulphide at 20℃; for 1h; |
Conditions | Yield |
---|---|
With trichlorophosphate In 1,1-dichloroethane | |
With trichlorophosphate In 1,1-dichloroethane |
Conditions | Yield |
---|---|
In chlorobenzene at 130℃; for 1.5h; | 71% |
Propoxur
Conditions | Yield |
---|---|
With sulphur dichloride; triethylamine; benzyl alcohol In dichloromethane | A 42% B n/a |
formaldehyd
Propoxur
Chloromethyl-methyl-carbamic acid 2-isopropoxy-phenyl ester
Conditions | Yield |
---|---|
With thionyl chloride |
Conditions | Yield |
---|---|
aluminium In water; acetonitrile Product distribution; Irradiation; influence of aluminum foil;; |
Conditions | Yield |
---|---|
With sulphur dichloride; triethylamine In dichloromethane |
Propoxur
B
2-isopropoxyphenyl [[(diethoxyphosphinothioyl)phenylamino]thio]methylcarbamate
Conditions | Yield |
---|---|
In N-methyl-acetamide; O,O-diethyl N-(chlorothio)phenylphosphoramidothioate; diethyl ether |
Propoxur
Conditions | Yield |
---|---|
In N-methyl-acetamide; diethyl ether |
Propoxur
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium hydroxide / water 2: hydrogenchloride; sodium nitrite / water View Scheme |
The Propoxur, with the CAS registry number 114-26-1, is also known as 2-(1-Methylethoxy)phenol methylcarbamate. It belongs to the product categories of Insecticide; Acaricides Pesticides; Alpha sort; Carbamates Pesticides & Metabolites; Insecticides; N-PAlphabetic; P; Pesticides; Pesticides & Metabolites. Its EINECS number is 204-043-8. This chemical's molecular formula is C11H15NO3 and molecular weight is 209.24. What's more, its systematic name is 2-Isopropoxyphenyl methylcarbamate. Its classification codes are: (1)Acaricide; (2)Agricultural Chemical; (3)Cholinergic Agents; (4)Cholinesterase Inhibitors; (5)Enzyme Inhibitors; (6)Human Data; (7)Insecticide; (8)Insecticides; (9)Mutation data; (10)Neurotransmitter Agents; (11)Pesticides; (12)Reproductive Effect. This chemical is a carbamate insecticide. It is a non-systemic insecticide with a fast knockdown and long residual effect used against turf, forestry, and household pests and fleas. It is also used in pest control for other domestic animals, Anopheles mosquitoes, ants, gypsy moths, and other agricultural pests. It can also be used as a molluscicide.
Physical properties of Propoxur are: (1)ACD/LogP: 1.538; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 8.68; (6)ACD/BCF (pH 7.4): 8.68; (7)ACD/KOC (pH 5.5): 163.50; (8)ACD/KOC (pH 7.4): 163.49; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.56 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 57.092 cm3; (15)Molar Volume: 193.271 cm3; (16)Polarizability: 22.633×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.083 g/cm3; (19)Flash Point: 132.481 °C; (20)Enthalpy of Vaporization: 53.515 kJ/mol; (21)Boiling Point: 295.445 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
Uses of Propoxur: it can be used to produce C13H14N2O5 at the temperature of 130 °C. It will need solvent chlorobenzene with the reaction time of 1.5 hours. The yield is about 71%.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. When using it, you need wear suitable protective gloves. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment, and you need refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccccc1OC(C)C)NC
(2)Std. InChI: InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
(3)Std. InChIKey: ISRUGXGCCGIOQO-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
bird - wild | LD50 | oral | 3800ug/kg (3.8mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
chicken | LD50 | oral | 46500ug/kg (46.5mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 7, Pg. 606, 1965. |
duck | LD50 | oral | 9580ug/kg (9.58mg/kg) | Toxicology and Applied Pharmacology. Vol. 22, Pg. 556, 1972. | |
guinea pig | LD50 | oral | 40mg/kg (40mg/kg) | Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 109, 1966. | |
hamster | LD50 | intraperitoneal | 500mg/kg (500mg/kg) | Archives of Toxicology. Vol. 58, Pg. 152, 1986. | |
mammal (species unspecified) | LD50 | oral | 90mg/kg (90mg/kg) | Herba Polonica. Vol. 21, Pg. 53, 1975. | |
mammal (species unspecified) | LD50 | skin | 800mg/kg (800mg/kg) | Pesticides. Vol. 15(10), Pg. 37, 1981. | |
mammal (species unspecified) | LD50 | unreported | 100mg/kg (100mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 41(8), Pg. 82, 1976. | |
mouse | LD50 | intraperitoneal | 12mg/kg (12mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 16, Pg. 561, 1968. | |
mouse | LD50 | oral | 23500ug/kg (23.5mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 17, Pg. 60, 1970. |
mouse | LD50 | skin | > 1360mg/kg (1360mg/kg) | Yakkyoku. Pharmacy. Vol. 31, Pg. 711, 1980. | |
mouse | LD50 | subcutaneous | 11400ug/kg (11.4mg/kg) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 17, Pg. 60, 1970. | |
pigeon | LD50 | oral | 7500ug/kg (7.5mg/kg) | ASTM Special Technical Publication. Vol. (680), Pg. 157, 1979. | |
quail | LD50 | oral | 28mg/kg (28mg/kg) | Toxicology and Applied Pharmacology. Vol. 20, Pg. 57, 1971. | |
rabbit | LD50 | intravenous | 5mg/kg (5mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Toxicology and Applied Pharmacology. Vol. 165, Pg. 27, 2000. |
rat | LC50 | inhalation | 1440mg/m3/1H (1440mg/m3) | "Pflanzenschutz-und Schaedlingsbekaempfungsmittel: Abriss einer Toxikologie und Therapie von Vergiftungen," 2nd ed., Klimmer, O.R., Hattingen, Fed. Rep. Ger., Hundt-Verlag, 1971Vol. -, Pg. 70, 1971. | |
rat | LD50 | intramuscular | 53mg/kg (53mg/kg) | British Journal of Industrial Medicine. Vol. 22, Pg. 317, 1965. | |
rat | LD50 | intraperitoneal | 30mg/kg (30mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: GENERAL ANESTHETIC | Bulletin of the World Health Organization. Vol. 44, Pg. 241, 1971. |
rat | LD50 | intravenous | 11mg/kg (11mg/kg) | British Journal of Industrial Medicine. Vol. 22, Pg. 317, 1965. | |
rat | LD50 | oral | 41mg/kg (41mg/kg) | Yakkyoku. Pharmacy. Vol. 37, Pg. 1621, 1986. | |
rat | LD50 | skin | 800mg/kg (800mg/kg) | Roczniki Panstwowego Zakladu Higieny. Vol. 22, Pg. 579, 1971. | |
rat | LD50 | subcutaneous | 56mg/kg (56mg/kg) | Yakkyoku. Pharmacy. Vol. 32, Pg. 471, 1981. | |
rat | LD50 | unreported | 100mg/kg (100mg/kg) | "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 193, 1971. | |
women | LDLo | oral | 24mg/kg (24mg/kg) | BLOOD: CHANGE IN CLOTTING FACTORS CARDIAC: PULSE RATE BEHAVIORAL: COMA | Postgraduate Medical Journal. Vol. 63, Pg. 311, 1987. |