Pendimethalin

The IUPAC name of 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)-benzenamine is 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline. With the CAS registry number 40487-42-1, it is also named as 3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-. The product's categories are Herbicide; Dinitroaniline Pesticides & Metabolites; N-PAlphabetic; P; PA - PEN. It is orange-yellow crystals which is toxic. When heated to decomposition it emits toxic fumes of NO_x. So the storage environment should be well- ventilated, low-temperature and dry. Keep this chemical separate from raw materials of food.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.56; (4)ACD/LogD (pH 7.4): 5.56; (5)ACD/BCF (pH 5.5): 9973.73; (6)ACD/BCF (pH 7.4): 9973.73; (7)ACD/KOC (pH 5.5): 25349.63; (8)ACD/KOC (pH 7.4): 25349.63; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 77.09 cm³; (14)Molar Volume: 231.5 cm³; (15)Surface Tension: 47.8 dyne/cm; (16)Enthalpy of Vaporization: 67.5 kJ/mol; (17)Vapour Pressure: 2.69E-07 mmHg at 25°C; (18)Rotatable Bond Count: 4; (19)Exact Mass: 281.137556; (20)MonoIsotopic Mass: 281.137556; (21)Topological Polar Surface Area: 104; (22)Heavy Atom Count: 20; (23)Complexity: 349.

Preparation of 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)-benzenamine: It can be obtained by alkylation and nitration of 3,4-aminodimethylbenzene.

Uses of 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)-benzenamine: It is a herbicides used in premergence and postemergence application to control annual grasses and certain broadleaf weeds. So it protects crops like wheat, corn, soybeans potatoes, cabbage, peas, carrots and asparagus. It also can be used to produce N²-(1-ethyl-propyl)-4,5-dimethyl-3-nitro-benzene-1,2-diamine and 3-(1-ethyl-propylamino)-6-methyl-2-nitro-4-nitroso-benzaldehyde. This reaction needs reagent sodium-sulphide nonahydrate, sodium bicarbonate and solvent H₂O, methanol at ambient temperature. The reaction time is 16 hours. The yield is 56%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. It is not only toxic by inhalation, in contact with skin and if swallowed, but also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. What's more, it has danger of very serious irreversible effects. So people should avoid contact with skin and not empty into drains. If you want to contact this product, you must wear suitable gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure. 
1. SMILES:[O-][N+](=O)c1c(c(cc([N+]([O-])=O)c1NC(CC)CC)C)C
2. InChI:InChI=1/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
3. InChIKey:CHIFOSRWCNZCFN-UHFFFAOYAS

The following are the toxicity data which has been tested.