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| CAS No.: | 2593-15-9 |
|---|---|
| Name: | ETRIDIAZOLE |
| Molecular Structure: | |
|
|
|
| Formula: | C5H5 Cl3 N2 O S |
| Molecular Weight: | 247.532 |
| Synonyms: | 3-(Trichloromethyl)-5-ethoxy-1,2,4-thiadiazole;5-Ethoxy-3-trichloromethyl-1,2,4-thiadiazole; Aaterra; Dwell; ETMT; Echlomezol;Echlomezole; Estridiazol; Estridiazole; Ethazol; Ethazole; Ethazole(fungicide); Etridiazole; Koban; NSC 524929; OM 2424; Pansoil; Planvate;Sanyard; Terrazole; Truban |
| Density: | 1.574g/cm3 |
| Melting Point: | 19.9°C |
| Boiling Point: | 254.7°Cat760mmHg |
| Flash Point: | 107.8°C |
| Solubility: | 117 mg l-1(25 °C) |
| Hazard Symbols: |
 
|
| Risk Codes: | 21/22-23-40-50/53 |
| Safety: | Moderately toxic by ingestion and skin contact. Mutation data reported. A fungicide. When heated to decomposition it emits very toxic fumes of Cl−, SOx, and NOx. |
| PSA: | 63.25000 |
| LogP: | 2.76350 |
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Chemistry
Molecule structure of 5-Ethoxy-3-trichloromethyl-1,2,4-thiadiazole (CAS NO.2593-15-9) :
IUPAC Name: 5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole
Molecular Weight: 247.53 g/mol
Molecular Formula: C5H5Cl3N2OS
Density: 1.574 g/cm3
Melting Point: 19.9 °C
Boiling Point: 254.7 °C at 760 mmHg
Flash Point: 107.8 °C
Water Solubility: 117 mg/L at 25 °C
Storage temp.: 0-6 °C
Molar Volume: 157.1 cm3
Polarizability: 20.28*10-24 cm3
Surface Tension: 50.5 dyne/cm
Enthalpy of Vaporization: 47.22 kJ/mol
Vapour Pressure: 0.0273 mmHg at 25 °C
Henry's Law Constant: 2.78E-07 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant: 6.87E-12 cm3/molecule-sec at 25 °C
XLogP3: 2.5
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 245.918817
MonoIsotopic Mass: 245.918817
Topological Polar Surface Area: 35
Heavy Atom Count: 12
Complexity: 154
Canonical SMILES: CCOC1=NC(=NS1)C(Cl)(Cl)Cl
InChI: InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
InChIKey: KQTVWCSONPJJPE-UHFFFAOYSA-N
EINECS: 219-991-8
Product Categories: Alphabetic; TA - TE
Toxicity Data With Reference
| 1. | mmo-sat 400 µg/plate | KHFKDF K’o Hsueh Fa Chan Yueh K’an. Progress in Sciences. 8 (1980),551. | ||
| 2. | mma-sat 400 µg/plate | KHFKDF K’o Hsueh Fa Chan Yueh K’an. Progress in Sciences. 8 (1980),551. | ||
| 3. | orl-rat LD50:1077 mg/kg | 28ZEAL Pesticide Index. 5 (1976),110. | ||
| 4. | orl-mus LD50:2000 mg/kg | GUCHAZ Guide to the Chemicals Used in Crop Protection 6 (1973),486. | ||
| 5. | orl-rbt LD50:779 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 56 (1980),164. | ||
| 6. | skn-rbt LD50:1700 mg/kg | FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1983,C137. |
Safety Profile
Moderately toxic by ingestion and skin contact. Mutation data reported. A fungicide. When heated to decomposition it emits very toxic fumes of Cl−, SOx, and NOx.
Hazard Codes: 
T, 
N
Risk Statements: 21/22-23-40-50/53-20/21/22
R21/22: Harmful in contact with skin and if swallowed
R23: Toxic by inhalation
R40: Limited evidence of a carcinogenic effect
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed
Safety Statements: 36/37-38-45-60-61
S36/37: Wear suitable protective clothing and gloves
S38: In case of insufficient ventilation, wear suitable respiratory equipment
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
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
RIDADR: UN2810 6.1/PG 2
RTECS: XI3875000
Specification
5-Ethoxy-3-trichloromethyl-1,2,4-thiadiazole (CAS NO.2593-15-9) is also called 1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)- ; 3-(Trichloromethyl)-5-ethoxy-1,2,4-thiadiazole ; 5-Aethoxy-3-trichlormethyl-1,2,4-thiadiazol ; Super X ; Terrazole ; Truban ; Kolan ; Etridazole . 5-Ethoxy-3-trichloromethyl-1,2,4-thiadiazole (CAS NO.2593-15-9) is moderate toxic. It will produce toxic chloride, sulfur oxide and nitrogen oxide gases when buring. So the storage environment should be ventilate, low-temperature and dry. Keep 5-Ethoxy-3-trichloromethyl-1,2,4-thiadiazole (CAS NO.2593-15-9) separate from raw materials of food.