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Pyrazosulfuron-ethyl

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Name

Pyrazosulfuron-ethyl

EINECS N/A
CAS No. 93697-74-6 Density 1.55 g/cm3
PSA 172.01000 LogP 1.45910
Solubility N/A Melting Point 180-182 °C
Formula C14H18N6O7S Boiling Point N/A
Molecular Weight 414.399 Flash Point 170°C
Transport Information N/A Appearance Off-white loosen powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 93697-74-6 (Pyrazosulfuron-ethyl) Hazard Symbols N/A
Synonyms

Agreen;Sirius;

Article Data 7

Pyrazosulfuron-ethyl Specification

The IUPAC name of Pyrazosulfuron-ethyl is ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate. With the CAS registry number 93697-74-6, it is also named as 1H-Pyrazole-4-carboxylic acid, 5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-, ethyl ester. The classification codes are Agricultural Chemical and Herbicide. It is white powder which is used as paddy field herbicide. Additioanally, 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: 1.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 96.07 cm3; (14)Molar Volume: 266 cm3; (15)Polarizability: 38.08×10-24 cm3; (16)Surface Tension: 59.2 dyne/cm; (17)Rotatable Bond Count: 8; (18)Tautomer Count: 5; (19)Exact Mass: 414.095768; (20)MonoIsotopic Mass: 414.095768; (21)Topological Polar Surface Area: 172; (22)Heavy Atom Count: 28; (23)Complexity: 645.

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(c1c(C(=O)OCC)cnn1C)NC(=O)Nc2nc(OC)cc(OC)n2
2. InChI:InChI=1/C14H18N6O7S/c1-5-27-12(21)8-7-15-20(2)11(8)28(23,24)19-14(22)18-13-16-9(25-3)6-10(17-13)26-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   Japan Pesticide Information. Vol. (55), Pg. 17, 1989.
quail LD50 unreported > 2250mg/kg (2250mg/kg)   Japan Pesticide Information. Vol. (55), Pg. 17, 1989.
rat LC50 inhalation > 3900mg/m3 (3900mg/m3)   Japan Pesticide Information. Vol. (55), Pg. 17, 1989.
rat LD50 oral > 5gm/kg (5000mg/kg)   Japan Pesticide Information. Vol. (55), Pg. 17, 1989.
rat LD50 skin > 2gm/kg (2000mg/kg)   Japan Pesticide Information. Vol. (55), Pg. 17, 1989.

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