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| CAS No.: | 134605-64-4 |
|---|---|
| Name: | BUTAFENACIL |
| Molecular Structure: | |
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|
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| Formula: | C20H18ClF3N2O6 |
| Molecular Weight: | 474.821 |
| Synonyms: | 1,1-Dimethyl-2-oxo-2-(2-propenyloxy)ethyl 2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]benzoate; |
| Density: | 1.406 g/cm3 |
| Melting Point: | 113 °C |
| Boiling Point: | 539.4 °C at 760 mmHg |
| Flash Point: | 280 °C |
| Solubility: | 10mg/L at 25℃ |
| Appearance: | white powder |
| Hazard Symbols: |
 N
|
| Risk Codes: | 50/53 |
| Safety: | 60-61 |
| Transport Information: | UN3077 |
| PSA: | 96.60000 |
| LogP: | 2.87300 |
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Specification
The Benzoic acid,2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-,1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester, with the CAS registry number of 134605-64-4, is also known as 1,1-Dimethyl-2-oxo-2-(2-propenyloxy)ethyl 2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]benzoate. It belongs to the product categories of BI - BZPesticides&Metabolites; Uracil structure; A-BAlphabetic; Alpha sort; B; Herbicides; Pesticides&Metabolites. This chemical's molecular formula is C20H18ClF3N2O6 and molecular weight is 474.81. What's more, its IUPAC name is (2-Methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro- 5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate. It can be obtained by 2-Chloro-5-nitro benzoic acid methyl ester. It is used as herbicide.
Physical properties about the Benzoic acid,2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-,1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester are: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 93.22 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 105.312 cm3; (9)Molar Volume: 337.613 cm3; (10)Surface Tension: 45.631 dyne/cm; (11)Density: 1.406 g/cm3; (12)Flash Point: 279.995 °C; (13)Enthalpy of Vaporization: 81.674 kJ/mol; (14)Boiling Point: 539.359 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC\C=C)C(OC(=O)c1cc(ccc1Cl)N2C(=O)\C=C(/N(C2=O)C)C(F)(F)F)(C)C
(2) InChI: InChI=1/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3
(3) InChIKey: JEDYYFXHPAIBGR-UHFFFAOYAX