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Name |
Etoxazole |
EINECS | 201-167-4 |
CAS No. | 153233-91-1 | Density | 1.15 g/cm3 |
PSA | 30.82000 | LogP | 4.61470 |
Solubility | N/A | Melting Point |
101-102oC |
Formula | C21H23F2NO2 | Boiling Point | 449.1 °C at 760 mmHg |
Molecular Weight | 359.416 | Flash Point | 225.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 60-61 | Risk Codes | 50/53 |
Molecular Structure | Hazard Symbols | N | |
Synonyms |
Baroque;Borneo;Oxazole,2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-;TetraSan;YI 5301;Zeal;4-(4-tert-Butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole;2(2,6-Difluorophenyl)-4-(4-(1,1-dimethylethyl)-2-ethoxyphenyl)-4,5-dihydrooxazole;2-(2,6-Difluorophenyl)-4-[2-ethoxy-4-(2-methyl-2-propanyl)phenyl]-4,5-dihydro-1,3-oxazole;Etoxazole [ISO]; |
Article Data | 3 |
The Etoxazole, with the CAS registry number 153233-91-1, is also known as 2(2,6-Difluorophenyl)-4-(4-(1,1-dimethylethyl)-2-ethoxyphenyl)-4,5-dihydrooxazole. This chemical's molecular formula is C21H23F2NO2 and molecular weight is 359.41. What's more, its systematic name is 4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole. Its classification code is Pesticide.
Physical properties of Etoxazole are: (1)ACD/LogP: 5.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.85; (4)ACD/LogD (pH 7.4): 5.85; (5)ACD/BCF (pH 5.5): 16370.47; (6)ACD/BCF (pH 7.4): 16376.05; (7)ACD/KOC (pH 5.5): 36138.45; (8)ACD/KOC (pH 7.4): 36150.76; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 30.82 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 97.04 cm3; (15)Molar Volume: 310.4 cm3; (16)Polarizability: 38.47×10-24cm3; (17)Surface Tension: 33 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 225.4 °C; (20)Enthalpy of Vaporization: 68.06 kJ/mol; (21)Boiling Point: 449.1 °C at 760 mmHg; (22)Vapour Pressure: 7.78E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic to aquatic organisms and it may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment just refering to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F
(2)InChI: InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2, 3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3
(3)InChIKey: IXSZQYVWNJNRAL-UHFFFAOYSA-N