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| CAS No.: | 69095-83-6 |
|---|---|
| Name: | DL 111 |
| Molecular Structure: | |
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| Formula: | C17H17 N3 O |
| Molecular Weight: | 279.37 |
| Synonyms: | 1H-1,2,4-Triazole,3-(2-ethylphenyl)-5-(3-methoxyphenyl)- (9CI);3-(2-Ethylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4 triazole; DL 111; DL 111IT;Diphenytriazol; ST 1959 |
| Density: | 1.156g/cm3 |
| Boiling Point: | 501.3°C at 760 mmHg |
| Flash Point: | 177.9°C |
| Safety: | Moderately toxic by intraperitoneal, subcutaneous and intramuscular routes. An experimental teratogen. Experimental reproductive effects. Used as a non-hormonal post implantation antifertility agent. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 50.80000 |
| LogP: | 3.70970 |
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Chemistry
Molecular structure of 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole (CAS NO.69095-83-6) is:
Product Name: 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole
CAS Registry Number: 69095-83-6
IUPAC Name: 5-(2-ethylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
Molecular Weight: 279.33638 [g/mol]
Molecular Formula: C17H17N3O
XLogP3-AA: 4.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Surface Tension: 47.7 dyne/cm
Density: 1.156 g/cm3
Flash Point: 177.9 °C
Enthalpy of Vaporization: 77.01 kJ/mol
Boiling Point: 501.3 °C at 760 mmHg
Vapour Pressure: 3.5E-10 mmHg at 25°C
Classification Code: Abortifacient Agents ;Abortifacient agents, nonsteroidal ;Drug / Therapeutic Agent ;Immunologic Factors ;Immunosuppressive agents ;Reproductive Control Agents ;Reproductive Effect
Uses
3-(2-ethylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole (CAS NO.69095-83-6) can be used as non-hormonal antifertility agent.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| hamster | LD50 | subcutaneous | > 2gm/kg (2000mg/kg) | Contraception. Vol. 23, Pg. 163, 1981. | |
| mouse | LD50 | intraperitoneal | 650mg/kg (650mg/kg) | "Research Frontiers in Fertility Regulation, Proceedings of an International Workshop, 1980," Zatuchni, G.I., et al., eds., Hagerstown, MD, Harper and Row Medical Dept., 1980Vol. -, Pg. 344, 1980. | |
| mouse | LD50 | subcutaneous | 3910mg/kg (3910mg/kg) | Contraception. Vol. 23, Pg. 163, 1981. | |
| rat | LD50 | intramuscular | > 2gm/kg (2000mg/kg) | Contraception. Vol. 23, Pg. 163, 1981. | |
| rat | LD50 | intraperitoneal | 1180mg/kg (1180mg/kg) | "Research Frontiers in Fertility Regulation, Proceedings of an International Workshop, 1980," Zatuchni, G.I., et al., eds., Hagerstown, MD, Harper and Row Medical Dept., 1980Vol. -, Pg. 344, 1980. | |
| rat | LD50 | subcutaneous | 3190mg/kg (3190mg/kg) | Contraception. Vol. 23, Pg. 163, 1981. |
Safety Profile
Moderately toxic by intraperitoneal, subcutaneous and intramuscular routes. An experimental teratogen. Experimental reproductive effects. Used as a non-hormonal post implantation antifertility agent. When heated to decomposition it emits toxic fumes of NOx.
Specification
3-(2-ethylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole , its cas register number is 69095-83-6. It also can be called (3-Ethylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole ; 1H-1,2,4-Triazole, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)- ; 3-(o-Ethylphenyl)-5-(m-methoxyphenyl)-s-triazole ; 5-(2-Ethylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole ; 5-(2-Ethylphenyl)-3-(3-methoxyphenyl)-s-triazole ; Contragestazol ; DL 111 ; DL 111 ; DL 111IT ; DL-111-IT ; s-Triazole, 3-(o-ethylphenyl)-5-(m-methoxyphenyl)- ; 1H-1,2,4-Triazole, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)- .