The Isoproturon, with the CAS registry number 34123-59-6, is also known as 3-(4-Isopropylphenyl)-1,1-dimethylurea. It belongs to the product categories of Active Agrochemical Ingredients; Herbicide; Alpha Sort; Alphabetic; Herbicides; H-MAnalytical Standards; IPesticides & Metabolites; Pesticides & Metabolites; Urea Structure; Amines; Aromatics. Its EINECS registry number is 251-835-4. This chemical's molecular formula is C₁₂H₁₈N₂O and molecular weight is 206.28. What's more, its IUPAC name is called 1,1-Dimethyl-3-(4-propan-2-ylphenyl)urea. This chemical can be prepared by Isopropyl benzene isocyanate with Dimethylamine. It is used as pre-and post-emergence herbicide for control of annual grasses and broad-leaved weeds.

Physical properties about Isoproturon are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.52; (6)ACD/BCF (pH 7.4): 92.52; (7)ACD/KOC (pH 5.5): 889.29; (8)ACD/KOC (pH 7.4): 889.31; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.34 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 63.064 cm³; (15)Molar Volume: 196.349 cm³; (16)Surface Tension: 39.2719993591309 dyne/cm; (17)Density: 1.051 g/cm³; (18)Flash Point: 167.406 °C; (19)Enthalpy of Vaporization: 59.809 kJ/mol; (20)Boiling Point: 353.194 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and may present an immediate or delayed danger to one or more components of the environment. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. In addition, it is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes and it has limited evidence of a carcinogenic effect. This chemical very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste. You should avoid releasing to the environment. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(cc1)C(C)C)N(C)C
(2) InChI: InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)
(3) InChIKey: PUIYMUZLKQOUOZ-UHFFFAOYSA-N

The toxicity data is as follows: