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| CAS No.: | 128639-02-1 |
|---|---|
| Name: | CARFENTRAZONE-ETHYL |
| Molecular Structure: | |
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|
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| Formula: | C15H14Cl2F3N3O3 |
| Molecular Weight: | 412.196 |
| Synonyms: | Aim;Aurora;Aurora (pesticide);Aurora 50WG;Carfentrazone-ethyl;F 8426;Kuaimieling;Spotlight;Spotlight (triazolinoneherbicide); |
| Density: | 1.527 g/cm3 |
| Melting Point: | -22.1° |
| Boiling Point: | 453.54 °C at 760 mmHg |
| Flash Point: | 228.093 °C |
| Solubility: | 21.98mg/L(temperature not stated) |
| Hazard Symbols: |
 N
|
| Risk Codes: | 50/53 |
| Safety: | 60-61 |
| Transport Information: | UN 3082 9/PG 3 |
| PSA: | 66.12000 |
| LogP: | 3.24300 |
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Specification
The IUPAC name of Carfentrazone-ethyl is ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate. With the CAS registry number 128639-02-1, it is also named as Aurora. The product's classification code is Herbicide. It should be stored at 0-6 °C. In addition, its molecular formula is C15H14Cl2F3N3O3 and molecular weight is 412.19.
The other characteristics of Carfentrazone-ethyl can be summarized as: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 161.68; (6)ACD/BCF (pH 7.4): 161.68; (7)ACD/KOC (pH 5.5): 1326.08; (8)ACD/KOC (pH 7.4): 1326.08; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 62.21 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 89.07 cm3; (15)Molar Volume: 269.9 cm3; (16)Polarizability: 35.31×10-24cm3; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.52 g/cm3; (19)Flash Point: 228.1 °C; (20)Enthalpy of Vaporization: 71.3 kJ/mol; (21)Boiling Point: 453.5 °C at 760 mmHg; (22)Vapour Pressure: 2.05E-08 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 that may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. And you should avoid release 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(OCC)C(Cl)Cc2c(Cl)cc(F)c(N1/N=C(\N(C1=O)C(F)F)C)c2
(2)InChI: InChI=1/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3
(3)InChIKey: MLKCGVHIFJBRCD-UHFFFAOYAP