Clofentezine

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: