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| CAS No.: | 142459-58-3 |
|---|---|
| Name: | Flufenacet |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C14H13F4N3O2S |
| Molecular Weight: | 363.336 |
| Synonyms: | BAY-FOE5043;Define DF;FOE 5043;Flufenacet;Fluthiamid;Fluthiamide;Thiafluamide; |
| EINECS: | 604-290-5 |
| Density: | 1.416 g/cm3 |
| Melting Point: | 75-77oC |
| Boiling Point: | 401.5 °C at 760mmHg |
| Flash Point: | 196.6 °C |
| Hazard Symbols: |
 Xn N
|
| Risk Codes: | 22-43-48/22 |
| Safety: | 13-24-37-60 |
| Transport Information: | 3077 |
| PSA: | 83.56000 |
| LogP: | 3.51640 |
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Specification
The Flufenacet, with the cas registry number of 142459-58-3, is also known as Thiafluamide and Acetamide, N-(4-fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)-. This chemical's molecular formula is C14H13F4N3O2S and formula weight is 363.33. What's more, both its IUPAC name and systematic name are the same which is called N-(4-Fluorophenyl)-N-(propan-2-yl)-2-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy}acetamide. Its classification code is Agricultural Chemical and Herbicide.
Physical properties about this chemical are: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/LogD (pH 7.4): 3.98; (5)ACD/BCF (pH 5.5): 626.86; (6)ACD/BCF (pH 7.4): 626.87; (7)ACD/KOC (pH 5.5): 3497.98; (8)ACD/KOC (pH 7.4): 3498; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 83.56 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 80.24 cm3; (15)Molar Volume: 256.4 cm3; (16)Surface Tension: 43.5 dyne/cm; (17)Density: 1.416 g/cm3; (18)Flash Point: 196.6 °C; (19)Enthalpy of Vaporization: 65.25 kJ/mol; (20)Boiling Point: 401.5 °C at 760 mmHg; (21)Vapour Pressure: 1.18E-06 mmHg at 25°C; (22)Storage Temp.: 0-6°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may present an immediate or delayed danger to one or more components of the environment. Secondly, it is harmful if swallowed. Thirdly, it may cause sensitisation by skin contact. Last, it is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. You should kept it away from food, drink and animal feeding stuffs. You are avoided to contact with skin. Whenever you will contact it, please wear suitable gloves. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)N(C1=CC=C(C=C1)F)C(=O)COC2=NN=C(S2)C(F)(F)F;
(2)InChI: InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3;
(3)InChIKey: IANUJLZYFUDJIH-UHFFFAOYSA-N.