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Clofentezine

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Name

Clofentezine

EINECS 277-728-2
CAS No. 74115-24-5 Density 1.398 g/cm3
PSA 51.56000 LogP 3.90740
Solubility 2.522ug/L(temperature not stated) Melting Point 182-185 °C
Formula C14H8Cl2N4 Boiling Point 504.359 °C at 760 mmHg
Molecular Weight 303.15 Flash Point 290.403 °C
Transport Information N/A Appearance red crystals
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 74115-24-5 (Clofentezine) Hazard Symbols N/A
Synonyms

3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine;Acaristop;Apollo;Apollo (pesticide);Apollo 50W;Apollo SOSC;Bisclofentezin;Bisclofentezine;NC 21314;3,6-Bis(o-chlorophenyl)-1,2,4,5-tetrazine;

Article Data 11

Clofentezine Specification

The Clofentezine, with the CAS registry number 74115-24-5, is also known as Bisclofentezine. It belongs to the product categories of Agro-Chemicals; Fungicide; Acaricides Alphabetic; C; CI - CL; Pesticides; Pesticides & Metabolites. Its EINECS number is 277-728-2. This chemical's molecular formula is C14H8Cl2N4 and molecular weight is 303.15. What's more, its systematic name is 3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine. Its classification codes are: (1)Acaricide; (2)Agricultural Chemical. You should not breathe dust. When using it, you must avoid contact with skin and eyes. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. This chemical is an acaricide used for fruit trees, peas, oranges, cotton and other crops. It is also used as an inhibitor for embryonic development.

Physical properties of Clofentezine are: (1)ACD/LogP: 3.713; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 390.80; (6)ACD/BCF (pH 7.4): 390.80; (7)ACD/KOC (pH 5.5): 2494.18; (8)ACD/KOC (pH 7.4): 2494.18; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.56 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 77.592 cm3; (15)Molar Volume: 216.799 cm3; (16)Polarizability: 30.76×10-24cm3; (17)Surface Tension: 59.58 dyne/cm; (18)Density: 1.398 g/cm3; (19)Flash Point: 290.403 °C; (20)Enthalpy of Vaporization: 74.45 kJ/mol; (21)Boiling Point: 504.359 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by o-chlorobenzaldehyde, sodium nitrite and chlorine. It can also be prepared by 2-chlorobenzoyl chloride and hydrazine, and then react with PCl5 to get (2-ClC6H4CClN)2. Finally the products are got by reacting with hydrazine hydrate in the present of phase transfer catalyst.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccccc3c1nnc(nn1)c2c(Cl)cccc2
(2)Std. InChI: InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
(3)Std. InChIKey: UXADOQPNKNTIHB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral > 3gm/kg (3000mg/kg)   Proceedings-British Crop Protection Conference-Pests and Diseases. Vol. -, Pg. 67, 1981.
duck LD50 unreported > 3gm/kg (3000mg/kg)   Defense des Vegetaux. Vol. 39(231), Pg. 11, 1985.
mouse LD50 oral > 3200mg/kg (3200mg/kg)   Proceedings-British Crop Protection Conference-Pests and Diseases. Vol. -, Pg. 67, 1981.
quail LD50 oral > 750mg/kg (750mg/kg)   Proceedings-British Crop Protection Conference-Pests and Diseases. Vol. -, Pg. 67, 1981.
rat LC50 inhalation > 9gm/m3/4H (9000mg/m3)   Pesticide Manual. Vol. 9, Pg. 177, 1991.
rat LD50 oral > 3200mg/kg (3200mg/kg)   Proceedings-British Crop Protection Conference-Pests and Diseases. Vol. -, Pg. 67, 1981.
rat LD50 skin > 1332mg/kg (1332mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A543, Pg. 1984.

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