CAS No.126535-15-7,Triflusulfuron-methyl Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	126535-15-7
Name:	Triflusulfuron-methyl

Formula:	C₁₇H₁₉F₃N₆O₆S
Molecular Weight:	478.409
Synonyms:	DPX 66037;Safari;Safari (herbicide);Upbeet;
Density:	1.493 g/cm³
Melting Point:	160-163°
Flash Point:	150°C
Appearance:	Brown granules with no distinct odor.
Hazard Symbols:	T,N
Risk Codes:	R23/24/25; R34; R50/53; R33; R23/25
PSA:	161.09000
LogP:	3.02880

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Specification

This chemical is called Triflusulfuron-methyl [ISO], and its CAS registry number is 126535-15-7. With the molecular formula of C₁₇H₁₉F₃N₆O₆S, its product categories are Agricultural Chemicals; Herbicides; Pesticides. Additionally, it should be stored at the temperature of 0-6°C.

Other characteristics of the Triflusulfuron-methyl [ISO] can be summarised as followings: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 16.61; (6)ACD/BCF (pH 7.4): 3.2; (7)ACD/KOC (pH 5.5): 114; (8)ACD/KOC (pH 7.4): 21.97; (9)#H bond acceptors: 12; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 143.51 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 105.96 cm³; (15)Molar Volume: 329.7 cm³; (16)Polarizability: 42×10^-24cm³; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.493 g/cm³.

Production method of this chemical:

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1cccc(c1S(=O)(=O)NC(=O)Nc2nc(nc(OCC(F)(F)F)n2)N(C)C)C
2.InChI: InChI=1/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)
3.InChIKey: IMEVJVISCHQJRM-UHFFFAOYAB

The toxicity data is as follows: The acute oral of this chemical to big rats is LD50>5000mg/kg, the acute dermal of rabbits is LD50>2000mg/kg. It's not irritating to rabbit's eyes. Its Ames test is negative.