Molecule structure of Cyloone (CAS NO.333-29-9) :
IUPAC Name: N-diethoxyphosphinothioyl-1,3-dithiolan-2-imine
Molecular Weight: 271.360321 g/mol
Molecular Formula: C7H14NO2PS3
Density: 1.42 g/cm3
Boiling Point: 347.6 °C at 760 mmHg
Flash Point: 164 °C
Index of Refraction: 1.625
Molar Refractivity: 67.52 cm3
Molar Volume: 190.8 cm3
Polarizability: 26.76*10-24 cm3
Surface Tension: 52.1 dyne/cm
Enthalpy of Vaporization: 56.85 kJ/mol
Vapour Pressure: 0.000107 mmHg at 25 °C
XLogP3-AA: 3.6
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Exact Mass: 270.992427
MonoIsotopic Mass: 270.992427
Topological Polar Surface Area: 30.8
Heavy Atom Count: 14
Complexity: 241
Canonical SMILES: CCOP(=S)(N=C1SCCS1)OCC
InChI: InChI=1S/C7H14NO2PS3/c1-3-9-11(12,10-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3
InChIKey of Cyloone (CAS NO.333-29-9) : YWITZONHXPIYDK-UHFFFAOYSA-N
1. | orl-rat LD50:14 mg/kg | IPCLBZ International Pest Control. 22 (1980),40. | ||
2. | orl-mus LD50:62 mg/kg | AECTCV Archives of Environmental Contamination and Toxicology. 14 (1985),111. | ||
3. | skn-rbt LD50:23 mg/kg | GUCHAZ Guide to the Chemicals Used in Crop Protection 6 (1973),200. | ||
4. | orl-ckn LD50:5200 µg/kg | EXPEAM Experientia. 30 (1974),63. | ||
5. | orl-bwd LD50:1800 µg/kg | TXAPA9 Toxicology and Applied Pharmacology. 26 (1973),154. | ||
6. | skn-bwd LD50:10 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 26 (1973),154. |
Poison by ingestion and skin contact. An insecticide. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Cyloone (CAS NO.333-29-9) is also called (Diethoxyphosphinothioyl)dithioimidocarbonic acid cyclic ethylene ester ; 1,3-Dithiolane, 2-(diethoxyphosphinylimino)-2-(Diethoxyphosphinothioylimino)-1,3-dithiolane ; AC-43064 ; AI3-25809 ; American cyanamid AC 43,064 ; BRN 4804631 ; CL-43,064 ; Cyclic ethylene (diethoxyphosphinothioyl)dithioimidocarbonate ; Cyclic ethylene ester of (diethoxyphosphinothioyl)dithioimidocarbonic acid ; ENT 25,809 ; O,O-Diethyl 1,3-dithiolan-2-ylidenephosphoramidothioate ; Phosphoramidothioic acid, 1,3-dithiolan-2-ylidene-, O,O-diethyl ester .
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