CAS No.2310-17-0,Phosalone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2310-17-0
Name:	Phosalone

Formula:	C₁₂H₁₅ClNO₄PS₂
Molecular Weight:	367.814
Synonyms:	Phosphorodithioicacid, O,O-diethyl ester, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone(7CI,8CI);3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone;6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone;Agria 1060;Benzophosphate;Chipman 11974;Fosalon;KB insectes;NIA 9241;O,O-Diethyl S-[6-chloro-3-(mercaptomethyl)-2-benzoxazolinone]phosphorodithioate;RP 11974;Rubitox;S-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl diethyl phosphorothiolothionate;S-[6-Chloro-3-(mercaptomethyl)-2-benzoxazolinone] O,O-diethylphosphorodithioate;Zolone Flo;Zolone PM;
EINECS:	218-996-2
Density:	1.443 g/cm³
Melting Point:	45-48oC
Boiling Point:	446.678 °C at 760 mmHg
Flash Point:	223.943 °C
Solubility:	Soluble in acetone, acetonitrile, acetophenone, benzene, chloroform and cyclohexanone
Appearance:	colourless or white crystals
Hazard Symbols:	T,N
Risk Codes:	21-25-50/53
Safety:	36/37-45-60-61
Transport Information:	UN 2783
PSA:	120.80000
LogP:	4.88670

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Consensus Reports

EPA: Farm Worker Field Reentry FEREAC Federal Register. 39 (1974),16888. .

Specification

The Phosalone, with the CAS registry number 2310-17-0, is also known as O,O-Diethyl S-[6-chloro-3-(mercaptomethyl)-2-benzoxazolinone]phosphorodithioate. It belongs to the product categories of Acaricides Pesticides & Metabolites; Alpha sort; Insecticides; N-PPesticides; Organophorous Alphabetic; Pesticides; Acaricides Pesticides. Its EINECS number is 218-996-2. This chemical's molecular formula is C₁₂H₁₅ClNO₄PS₂ and molecular weight is 367.81. What's more, its systematic name is S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate. Its classification codes are: (1)Acaricide; (2)Agricultural Chemical; (3)Cholinergic Agents; (4)Cholinesterase inhibitors; (5)Enzyme Inhibitors; (6)Insecticide; (7)Insecticides; (8)Neurotransmitter Agents; (9)Pesticides; (10)Reproductive Effect. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. This substance is an organophosphate chemical commonly used as an insecticide and acaricide. It is used to control aphids, thrips, red spider, leafhoppers, planthoppers, stem borers and many other pests.

Physical properties of Phosalone are: (1)ACD/LogP: 4.677; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2111.79; (6)ACD/BCF (pH 7.4): 2111.79; (7)ACD/KOC (pH 5.5): 8344.15; (8)ACD/KOC (pH 7.4): 8344.15; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 115.2 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 88.247 cm³; (15)Molar Volume: 254.88 cm³; (16)Polarizability: 34.984×10^-24cm³; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.443 g/cm³; (19)Flash Point: 223.943 °C; (20)Enthalpy of Vaporization: 70.488 kJ/mol; (21)Boiling Point: 446.678 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful in contact with skin. It is toxic if swallowed and is very toxic to aquatic organisms. It may cause long-term adverse effects in the aquatic environment. This material and/or its container must be disposed of as hazardous waste. You should avoid releasing it to the environment, and you need to refer to special instructions safety data sheet. When using it, you need wear suitable protective clothing and gloves. In case of accident or if you feel unwell, you should seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc1c(OC(=O)N1CSP(=S)(OCC)OCC)c2
(2)Std. InChI: InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
(3)Std. InChIKey: IOUNQDKNJZEDEP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	oral	112mg/kg (112mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 14(12), Pg. 46, 1970.
chicken	LD50	oral	661mg/kg (661mg/kg)		Veterinariya. Veterinary Science. Vol. 54(11), Pg. 75, 1978.
guinea pig	LD50	oral	150mg/kg (150mg/kg)		Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 408, 1973.
mammal (species unspecified)	LDLo	oral	400mg/kg (400mg/kg)		International Journal of Toxicology, Occupational and Environmental Health. Vol. 1, Pg. 186, 1991.
mammal (species unspecified)	LDLo	oral	400mg/kg (400mg/kg)	BLOOD: OTHER CHANGES	International Journal of Toxicology, Occupational and Environmental Health. Vol. 1, Pg. 186, 1991.
mouse	LD50	oral	73mg/kg (73mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 19(9), Pg. 55, 1975.
rabbit	LD50	skin	1gm/kg (1000mg/kg)		"Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
rat	LD50	oral	85mg/kg (85mg/kg)		Khimiya v Sel'skom Khozyaistve. Chemistry in Agriculture. Vol. 16(2), Pg. 59, 1978.
rat	LD50	skin	390mg/kg (390mg/kg)		World Review of Pest Control. Vol. 9, Pg. 119, 1970.
rat	LD50	unreported	135mg/kg (135mg/kg)		"Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 371, 1971.