Flazasulfuron

Reported in EPA TSCA Inventory.

The Flazasulfuron, with the CAS registry number 104040-78-0, is also known as 2-Pyridinesulfonamide,N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(trifluoromethyl)-. This chemical's molecular formula is C₁₃H₁₂F₃N₅O₅S and molecular weight is 407.33. What's more, its systematic name is N-[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]-3-(trifluoromethyl)-2-pyridinesulfonamide. This chemical is a vineyard herbicide in freshwater algae. Its classification codes are: (1)Agricultural Chemical; (2)Herbicide. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place with the storage temperature of 2 - 8 °C. Moreover, it should be protected from oxides. 

Physical properties of Flazasulfuron are: (1)ACD/LogP: 2.729; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 9.83; (8)ACD/KOC (pH 7.4): 7.30; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 140.78 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 83.447 cm³; (15)Molar Volume: 262.181 cm³; (16)Polarizability: 33.081×10^-24cm³; (17)Surface Tension: 58.3889999389648 dyne/cm; (18)Density: 1.554 g/cm³.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. You must avoid releasing it to the environment just refering to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1nc(OC)cc(OC)n1)NS(=O)(=O)c2ncccc2C(F)(F)F
(2)Std. InChI: InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)
(3)Std. InChIKey: HWATZEJQIXKWQS-UHFFFAOYSA-N

The toxicity data is as follows: