Clomazone

The Clomazone is an organic compound with the formula C₁₂H₁₄ClNO₂. The IUPAC name of this chemical is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one. With the CAS registry number 81777-89-1, it is also named as 3-isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-. The product's categories are Herbicide; CI - CLPesticides & Metabolites; Alpha Sort; C; CAlphabetic; Herbicides; Others; Pesticides & Metabolites; Alphabetic; CO - CZ. Besides, it is mainly used for Control in broad-leaved weeds in soybean fields and grass weeds, and also used in cassava, corn, rapeseed, sugar cane and tobacco fields, etc.

Physical properties about Clomazone are: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.17; (4)ACD/BCF (pH 5.5): 26.21; (5)ACD/BCF (pH 7.4): 26.21; (6)ACD/KOC (pH 5.5): 360.54; (7)ACD/KOC (pH 7.4): 360.54; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.55; (12)Molar Refractivity: 62.52 cm³; (13)Molar Volume: 195.9 cm³; (14)Polarizability: 24.78×10^-24cm³; (15)Surface Tension: 42.2 dyne/cm; (16)Density: 1.223 g/cm³; (17)Flash Point: 145.9 °C; (18)Enthalpy of Vaporization: 55.91 kJ/mol; (19)Boiling Point: 317.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00038 mmHg at 25°C.

Preparation: this chemical can be prepared by trimethyl acetic acid. Chemical equation is as follows:

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to to eyes and skin. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1CN2OCC(C2=O)(C)C
(2)InChI: InChI=1/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
(3)InChIKey: KIEDNEWSYUYDSN-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
(5)Std. InChIKey: KIEDNEWSYUYDSN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
duck	LD50	oral	> 2510mg/kg (2510mg/kg)		Pesticide Manual. Vol. 9, Pg. 178, 1991.
quail	LD50	oral	> 2510mg/kg (2510mg/kg)		Pesticide Manual. Vol. 9, Pg. 178, 1991.
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)		Pesticide Manual. Vol. 9, Pg. 178, 1991.
rat	LC50	inhalation	4800mg/m3/4H (4800mg/m3)		Pesticide Manual. Vol. 9, Pg. 178, 1991.
rat	LD50	oral	1369mg/kg (1369mg/kg)		Pesticide Manual. Vol. 9, Pg. 178, 1991.