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| CAS No.: | 39807-15-3 |
|---|---|
| Name: | OXADIARGYL PESTANAL |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C15H14 Cl2 N2 O3 |
| Molecular Weight: | 341.194 |
| Synonyms: | 1,3,4-Oxadiazol-2(3H)-one,3-[2,4-dichloro-5-(2-propynyloxy)phenyl]-5-(1,1-dimethylethyl)- (9CI);Oxadiargyl; RP 020630; Raft; SAN-1315; Topstar |
| Density: | 1.29g/cm3 |
| Melting Point: | 131℃ |
| Boiling Point: | 429.6°Cat760mmHg |
| Flash Point: | 213.6°C |
| Hazard Symbols: | A reproductive hazard. |
| Risk Codes: | 48/22-63-50/53 |
| Safety: | Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and Cl−. |
| PSA: | 57.26000 |
| LogP: | 3.44180 |
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Chemistry
Empirical Formula of Oxadiargyl (CAS NO.39807-15-3): C15H14Cl2N2O3
Molecular Weight: 341.1893 g/mol
EINECS: 254-637-6
Index of Refraction: 1.568
Density: 1.29 g/cm3
Flash Point: 213.6 °C
Enthalpy of Vaporization: 68.49 kJ/mol
Boiling Point: 429.6 °C at 760 mmHg
Vapour Pressure: 1.39E-07 mmHg at 25 °C
Structure of Oxadiargyl (CAS NO.39807-15-3):
IUPAC Name: 5-Tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
Canonical SMILES: CC(C)(C)C1=NN(C(=O)O1)C2=CC(=C(C=C2Cl)Cl)OCC#C
InChI: InChI=1S/C15H14Cl2N2O3/c1-5-6-21-12-8-11(9(16)7-10(12)17)19-14(20)22-13(18-19)15(2,3)4/h1,7-8H,6H2,2-4H3
InChIKey: DVOODWOZJVJKQR-UHFFFAOYSA-N
Safety Profile
Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Hazard Codes of Oxadiargyl (CAS NO.39807-15-3): 
Xn,
N
Risk Statements: 48/22-63-50/53
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R63:Possible risk of harm to the unborn child.
Safety Statements: 36/37-46-60-61
S36/37:Wear suitable protective clothing and gloves.
S46:If swallowed, seek medical advice immediately and show this container or label.
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
Specification
Oxadiargyl , its cas register number is 39807-15-3. It also can be called 3-(2,4-Dichloro-5-(2-propynyloxy)phenyl)-5-(1,1-
dimethylethyl)-1,3,4-oxadiazol-2(3H)-one ; 5-tert-Butyl-3-(2,4-dichloro-5-propargyloxyphenyl)-1,3,4-oxadiazol-2(3H)-one ; and 1,3,4-Oxadiazol-2(3H)-one, 3-(2,4-dichloro-5-(2-propynyloxy)phenyl)-5-(1,1-dimethylethyl)- .