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14816-20-7

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Basic Information
CAS No.: 14816-20-7
Name: Chlorphoxim
Molecular Structure:
Molecular Structure of 14816-20-7 (Chlorphoxim)
Formula: C12H14ClN2O3PS
Molecular Weight: 332.7429
Synonyms: 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile,7-(2-chlorophenyl)-4-ethoxy-, 4-sulfide (9CI);Glyoxylonitrile,(o-chlorophenyl)-, oxime O,O-diethyl phosphorothioate (8CI);(o-Chlorophenyl)glyoxylonitrile oxime O,O-diethyl phosphorothioate;BAY 78172;BAY 78182;Bayer 78182;Chlorphoxim;ENT 27449Ga;O,O-Diethyl phosphorothioateO-ester with (o-(chlorophenyl)glyoxylonitrile oxime;Phosphorothioic acid,O-2-chloro-a-cyanobenzylideneaminoO,O-diethyl ester;
EINECS: 238-888-9
Density: 1.3 g/cm3
Boiling Point: 391.5 °C at 760 mmHg
Flash Point: 190.6 °C
Hazard Symbols:
Risk Codes: R21
Safety: S22;S25
PSA: 105.74000
LogP: 4.53238
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Specification

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.