CAS No.74222-97-2,DPX-T5648 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	74222-97-2
Name:	DPX-T5648
Article Data:	13

Formula:	C₁₅H₁₆N₄O₅S
Molecular Weight:	364.382
Synonyms:	DPX5648;Oust;SMM;Sulfomethuron-methyl;
EINECS:	277-780-6
Density:	1.48 g/cm³
Melting Point:	203-205 °C
Boiling Point:	197°C (rough estimate)
Solubility:	8mg / L (pH = 5), 70mg / L (pH = 7) in water
Appearance:	white solid
Hazard Symbols:	N
Risk Codes:	50
Safety:	61
Transport Information:	UN3077 9/PG 3
PSA:	135.73000
LogP:	2.93510

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Specification

The IUPAC name of Sulfometuron methyl is methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate. With the CAS registry number 74222-97-2, it is also named as Benzoic acid, 2-(((((4,6-dimethyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester. The product's categories are Herbicide; Alpha Sort; Environmental Standards; Metabolites Pesticides & Metabolites; Pesticides & Metabolites; Q-ZAlphabetic; Urea Structure. It is white solid which the solubility is as follow: acetone 2.4g/kg, acetonitrile 1.5g/kg, ethanol 137mg/kg, ether 32mg/kg, xylene 37mg/kg, water 8mg / L (pH = 5), 70mg / L (pH = 7). Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.65; (8)ACD/KOC (pH 7.4): 3.69; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.6; (13)Molar Refractivity: 88.28 cm³; (14)Molar Volume: 257.8 cm³; (15)Polarizability: 34.99×10^-24 cm³; (16)Surface Tension: 64.3 dyne/cm; (17)Rotatable Bond Count: 5; (18)Tautomer Count: 13; (19)Exact Mass: 364.08414; (20)MonoIsotopic Mass: 364.08414; (21)Topological Polar Surface Area: 136; (22)Heavy Atom Count: 25; (23)Complexity: 581.

Preparation of Sulfometuron methyl: Stirring 2-amino-4,6-dimethyl-pyrimidine and o-methyl formate benzenesulfonyl isocyanate in the solvent acetonitrile for 16 hours. After filtering, we can get the product. The yield is 91%.

Uses of Sulfometuron methyl: It is a kind of broad-spectrum sulfonylurea herbicide. It is used for the control of annual and perennial grasses, and broad leaved weeds in non-crop land. It also has forestry applications where it is used to control woody tree species. It is applied either pre-emergent or post-emergent . It works by blocking cell division in the active growing regions of stem and root tips (meristematic tissue).

When you are using this chemical, please be cautious about it as the following:
It is very toxic to aquatic organisms. So people should avoid release it 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=C(Nc1nc(cc(n1)C)C)NS(=O)(=O)c2ccccc2C(=O)OC
2. InChI:InChI=1/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
duck	LD50	oral	> 5gm/kg (5000mg/kg)	Pesticide Manual. Vol. 9, Pg. 774, 1991.
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)	E.I. Dupont de Nemours and Company, Technical Sheet. Vol. AG-361,
rat	LC50	inhalation	> 5gm/m³/4H (5000mg/m³)	E.I. Dupont de Nemours and Company, Technical Sheet. Vol. AG-361,
rat	LD50	oral	> 5gm/kg (5000mg/kg)	E.I. Dupont de Nemours and Company, Technical Sheet. Vol. AG-361,