Ethanone,2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)-

The Benoxacor, with the CAS registry number 98730-04-2, has the systematic name of 2,2-dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone. And the molecular formula of this chemical is C₁₁H₁₁Cl₂NO₂. It belongs to the following product categoies: A-BAlphabetic; Alpha sort; B; BA - BH; Pesticides & Metabolites. And it should be stored at 0-6 °C.

The physical properties of Benoxacor are as following: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.31; (6)ACD/BCF (pH 7.4): 157.32; (7)ACD/KOC (pH 5.5): 1300.31; (8)ACD/KOC (pH 7.4): 1300.38; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 62.55 cm³; (15)Molar Volume: 192.7 cm³; (16)Polarizability: 24.79×10^-24cm³; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.349 g/cm³; (19)Flash Point: 201.1 °C; (20)Enthalpy of Vaporization: 66.09 kJ/mol; (21)Boiling Point: 408.9 °C at 760 mmHg; (22)Vapour Pressure: 6.78E-07 mmHg at 25°C.

Preparation and uses of Benoxacor: Drop 5.3ml dichloroacetyl chloride into the 120ml phene solution in which 7.5g 2,3-dihydro-3-methyl-1,4-benzoxazine and 5.8g sodium carbonate had dissolved in the temperature of 20-25°C, and then stir for 30 minutes, then the desired product is obtained. Besides, it is used as herbicide safener that protects corn from injury by metachlor.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)C(=O)N1c2c(OCC1C)cccc2
(2)InChI: InChI=1/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
(3)InChIKey: PFJJMJDEVDLPNE-UHFFFAOYAC

The toxicity data is as follows: