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| CAS No.: | 2032-65-7 |
|---|---|
| Name: | Mercaptodimethur |
| Molecular Structure: | |
|
|
|
| Formula: | C11H15NO2S |
| Molecular Weight: | 225.312 |
| Synonyms: | Carbamicacid, methyl-, 4-(methylthio)-3,5-xylyl ester (6CI,7CI,8CI);Phenol,3,5-dimethyl-4-(methylthio)-, methylcarbamate (9CI);3,5-Dimethyl-4-(methylthio)phenyl methylcarbamate;4-(Methylthio)-3,5-xylylmethylcarbamate;4-(Methylthio)-3,5-xylyl-N-methylcarbamate;4-Methylthio-3,5-dimethylphenyl methylcarbamate;B 37344;DCR 736;Draza;Mesurol;Mesurol 50;Mesurol phenol;Methiocarb;Metmercapturon; |
| EINECS: | 217-991-2 |
| Density: | 1.149 g/cm3 |
| Melting Point: | 119 °C |
| Boiling Point: | 310.657 °C at 760 mmHg |
| Flash Point: | 141.681 °C |
| Solubility: | insoluble in water |
| Appearance: | White crystalline powder with a mild odor |
| Hazard Symbols: |
 T, N
|
| Risk Codes: | 25-50/53 |
| Safety: | 22-37-45-60-61 |
| Transport Information: | UN 2811/2757 |
| PSA: | 63.63000 |
| LogP: | 3.13440 |
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| Conditions | Yield |
|---|---|
| 84.7% |
| Conditions | Yield |
|---|---|
| With thionyl chloride |
| Conditions | Yield |
|---|---|
| aluminium In water; acetonitrile Product distribution; Irradiation; influence of aluminum foil;; |
| Conditions | Yield |
|---|---|
| With NADPH-regenerating system; rat liver microsome In phosphate buffer at 37℃; for 0.166667h; pH=7.4; Enzyme kinetics; Oxidation; |
- 2032-65-7
methiocarb
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 20℃; under 760.051 Torr; Electrochemical reaction; Inert atmosphere; |
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Specification
The Mercaptodimethur, with the CAS registry number 92517-02-7, is also known as Methylcarbamic acid 4-(methylthio)-3,5-xylyl ester. It belongs to the product categories of MEA - MES Pesticides & Metabolites; Alpha sort; H-M Alphabetic; M; Others; Pesticides; Pesticides & Metabolites. Its EINECS number is 217-991-2. This chemical's molecular formula is C11H15NO2S and molecular weight is 225.31. What's more, its systematic name is 3,5-Dimethyl-4-(methylsulfanyl)phenyl methylcarbamate. Its classification codes are: (1)Acaricide; (2)Agricultural Chemical; (3)Avicide; (4)Insecticide; (5)Insecticides; (6)Molluscacides; (7)Molluscicide; (8)Pesticides. This chemical should be sealed and stored in a cool, ventilated and dry place. It is used as an insecticide and immobilizing agent for birds, acaricide and molluscicide.
Physical properties of Mercaptodimethur are: (1)ACD/LogP: 3.086; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 130.44; (6)ACD/BCF (pH 7.4): 130.44; (7)ACD/KOC (pH 5.5): 1137.17; (8)ACD/KOC (pH 7.4): 1137.16; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.63 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 63.402 cm3; (15)Molar Volume: 196.098 cm3; (16)Polarizability: 25.134×10-24cm3; (17)Surface Tension: 43.88 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 141.681 °C; (20)Enthalpy of Vaporization: 55.151 kJ/mol; (21)Boiling Point: 310.657 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed, and it is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. You should not breathe dust. When using it, you need wear suitable protective gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste. You must avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1cc(c(SC)c(c1)C)C)NC
(2)Std. InChI: InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
(3)Std. InChIKey: YFBPRJGDJKVWAH-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| bird - wild | LD50 | oral | 2400ug/kg (2.4mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
| bird - wild | LD50 | skin | 100mg/kg (100mg/kg) | Toxicology and Applied Pharmacology. Vol. 26, Pg. 154, 1973. | |
| chicken | LD50 | oral | 179mg/kg (179mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 7, Pg. 606, 1965. |
| duck | LD50 | oral | 13mg/kg (13mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
| guinea pig | LD50 | oral | 40mg/kg (40mg/kg) | "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976. | |
| mouse | LD50 | intraperitoneal | 16mg/kg (16mg/kg) | Toxicology and Applied Pharmacology. Vol. 6, Pg. 402, 1964. | |
| mouse | LD50 | oral | 25200ug/kg (25.2mg/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 | subcutaneous | 940mg/kg (940mg/kg) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 17, Pg. 60, 1970. | |
| pigeon | LD50 | oral | 13mg/kg (13mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
| quail | LD50 | oral | 8840ug/kg (8.84mg/kg) | ASTM Special Technical Publication. Vol. (680), Pg. 157, 1979. | |
| rat | LD50 | oral | 20mg/kg (20mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C199, 1991. | |
| rat | LD50 | skin | 350mg/kg (350mg/kg) | Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 105, 1966. | |
| rat | LD50 | unreported | 100mg/kg (100mg/kg) | "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 194, 1971. |