The Chlorphoxim with the cas number 14816-20-7 is also called Phosphorothioic acid,O-[[(2-chlorophenyl)cyanomethylene]azanyl] O,O-diethyl ester. The IUPAC name is (1Z)-2-chloro-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide. Its EINECS registry number is 238-888-9. This chemical belongs to the following product categories: (1)Alpha sort; (2)C; (3)CAlphabetic; (4)CHPesticides; (5)Insecticides; (6)Organophorous; (7)Pesticides&Metabolites.
The properties of the chemical are: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.56; (4)ACD/LogD (pH 7.4): 4.56; (5)ACD/BCF (pH 5.5): 1729.54; (6)ACD/BCF (pH 7.4): 1729.54; (7)ACD/KOC (pH 5.5): 7232.84; (8)ACD/KOC (pH 7.4): 7232.84; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 105.74 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 82.84 cm3; (15)Molar Volume: 255 cm3; (16)Polarizability: 32.84×10-24cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Enthalpy of Vaporization: 64.11 kJ/mol; (19)Vapour Pressure: 2.45E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C(=N\OP(=S)(OCC)OCC)/C#N
(2)InChI: InChI=1/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3/b15-12-
(3)InChIKey: GQKRUMZWUHSLJF-QINSGFPZBS
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C73, 1991. | |
rat | LD50 | skin | > 500mg/kg (500mg/kg) | Pesticide Manual. Vol. 8, Pg. 176, 1987. |
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