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CAS No.: | 122836-35-5 |
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Name: | SULFENTRAZONE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C11H10Cl2F2N4O3S |
Molecular Weight: | 387.194 |
Synonyms: | Authority;Authority 75DF;Blanket;Boral;Capaz;Dismiss;F 6285;N-[2,4-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;Spartan; |
Density: | 1.72 g/cm3 |
Melting Point: | 121-123oC |
Boiling Point: | 468.2 °C at 760 mmHg |
Flash Point: | 237 °C |
PSA: | 94.37000 |
LogP: | 3.56960 |
The Sulfentrazone, with the CAS registry number 122836-35-5, is also known as N-(2,4-Dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenyl)methanesulfonamide. This chemical's molecular formula is C11H10Cl2F2N4O3S and molecular weight is 387.19. Its IUPAC name is called N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-ylphenyl]methanesulfonamide. Sulfentrazone is a chemical used as a herbicide. This chemical can be used as protoporphyrinogen oxidase inhibiting agent.
Physical properties of Sulfentrazone: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 28.17; (6)ACD/BCF (pH 7.4): 26.96; (7)ACD/KOC (pH 5.5): 379.59; (8)ACD/KOC (pH 7.4): 363.28; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 81.33 cm3; (14)Molar Volume: 223.9 cm3; (15)Surface Tension: 53.9 dyne/cm; (16)Density: 1.72 g/cm3; (17)Flash Point: 237 °C; (18)Enthalpy of Vaporization: 73.03 kJ/mol; (19)Boiling Point: 468.2 °C at 760 mmHg; (20)Vapour Pressure: 6.1E-09 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-{2,4-dichloroethane-5-[double-(N-butanoic sulfonylureas dibenzyloxyphosphoiyl) amino] phenyl}-3-4-2-) methyl-1,2,4-three fluorine imidazole Lin -5-ketone. With 0.8g (0.002mol) afore-mentioned products, this reaction also need reagent 10mL ethanol and solvent 0.14g NaOH, H2O. The reaction time is 15 min. Then this reaction can obtain 0.5g Sulfentrazone.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2Cl)Cl)NS(=O)(=O)C
(2)InChI: InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3
(3)InChIKey: OORLZFUTLGXMEF-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | intraperitoneal | > 100mg/kg (100mg/kg) | United States Patent Document. Vol. #5298502, | |
mouse | LD50 | oral | > 700mg/kg (700mg/kg) | United States Patent Document. Vol. #5298502, | |
rat | LD50 | oral | > 2600mg/kg (2600mg/kg) | United States Patent Document. Vol. #5298502, |