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| CAS No.: | 103112-35-2 |
|---|---|
| Name: | FENCHLORAZOL-ETHYL |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C12H8Cl5N3O2 |
| Molecular Weight: | 403.479 |
| Synonyms: | Fenchlorazole-Et;HOE 070542; |
| EINECS: | 401-290-5 |
| Density: | 1.65 g/cm3 |
| Melting Point: | 110 °C |
| Boiling Point: | 469.8 °C at 760 mmHg |
| Flash Point: | 237.9 °C |
| Hazard Symbols: | T,N |
| Risk Codes: | 45-50/53 |
| Safety: | 53-45-60-61 |
| Transport Information: | UN3077 9/PG 3 |
| PSA: | 57.01000 |
| LogP: | 4.57750 |
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Chemistry
IUPAC Name: Ethyl 1-(2,4-Dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate
Following is the structure of 1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester (CAS NO.103112-35-2):
Empirical Formula: C12H8Cl5N3O2
Molecular Weight: 403.4758 g/mol
EINECS: 401-290-5
Index of Refraction: 1.645
Molar Refractivity: 88.4 cm3
Molar Volume: 243.8 cm3
Density: 1.65 g/cm3
Flash Point: 237.9 °C
Melting Point 110 °C
Surface Tension: 53 dyne/cm
Enthalpy of Vaporization: 73.22 kJ/mol
Boiling Point: 469.8 °C at 760 mmHg
Vapour Pressureof 1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester (CAS NO.103112-35-2): 5.35E-09 mmHg at 25 °C
Water Solubility of 1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester (CAS NO.103112-35-2): 0.9 mg/L at 20 °C
Canonical SMILES: CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3
InChIKey: GMBRUAIJEFRHFQ-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2gm/kg (2000mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | National Technical Information Service. Vol. OTS0524063-1, |
| rabbit | LD50 | skin | > 2gm/kg (2000mg/kg) | GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES BLOOD: HEMORRHAGE | National Technical Information Service. Vol. OTS0524063-1, |
| rat | LD50 | inhalation | > 1520mg/m3 (1520mg/m3) | GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES BLOOD: HEMORRHAGE | National Technical Information Service. Vol. OTS0524063-1, |
| rat | LD50 | intraperitoneal | 910mg/kg (910mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | National Technical Information Service. Vol. OTS0524063-1, |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES BLOOD: HEMORRHAGE | National Technical Information Service. Vol. OTS0524063-1, |
| rat | LD50 | skin | > 2gm/kg (2000mg/kg) | GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES BLOOD: HEMORRHAGE | National Technical Information Service. Vol. OTS0524063-1, |
Safety Profile
RIDADR: UN3077 9/PG 3
Specification
1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester , its cas register number is 103112-35-2. It also can be called Fenchlorazole-Et ; and Fenchlorazole-ethyl .