CAS No.2032-65-7,Mercaptodimethur Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2032-65-7
Name:	Mercaptodimethur

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

Synthetic route

: 2032-65-7
methiocarb

: 79-04-9
chloroacetyl chloride

: 3,5-dimethyl-4-methylthio-phenyl N-chloroacetyl-N-methylcarbamate

Conditions

Conditions	Yield
	84.7%

: 50-00-0
formaldehyd

: 2032-65-7
methiocarb

: Chloromethyl-methyl-carbamic acid 3,5-dimethyl-4-methylsulfanyl-phenyl ester

Conditions

Conditions	Yield
With thionyl chloride

: 2032-65-7
methiocarb

: 74-89-5
methylamine

Conditions

Conditions	Yield
aluminium In water; acetonitrile Product distribution; Irradiation; influence of aluminum foil;;

: 2032-65-7
methiocarb

: 2635-10-1
Methiocarb sulfoxide

Conditions

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

: C44H56O16S4

: C11H15NO2S*C44H56O16S4

: 2032-65-7
methiocarb

: C9H11OS(1-)

Conditions

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.