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| CAS No.: | 5349-28-0 |
|---|---|
| Name: | ETHYL 2-THIOCYANATOACETATE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C5H7 N O2 S |
| Molecular Weight: | 145.182 |
| Synonyms: | Aceticacid, thiocyanato-, ethyl ester (6CI,7CI,8CI,9CI); Ethyl thiocyanatoacetate;Ethyl thiocyanoacetate; NSC 1202; REE; REE (acetate); Thiocyanatoacetic acidethyl ester |
| Density: | 1.19g/cm3 |
| Boiling Point: | 224.1°Cat760mmHg |
| Flash Point: | 89.4°C |
| Safety: | Poison by ingestion, intramuscular, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx, CN−, and NOx. See also ESTERS and THIOCYANATES. |
| PSA: | 75.39000 |
| LogP: | 0.76378 |
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Chemistry
IUPAC Name: Ethyl 2-thiocyanatoacetate
Molecular Formula: C5H7NO2S
Molecular Weight: 145.19g/mol
Freely Rotating Bonds: 4
Polar Surface Area: 75.39 Å2
Index of Refraction: 1.484
Molar Refractivity: 34.89 cm3
Molar Volume: 121.9 cm3
Polarizability: 13.83 ×10-24cm3
Surface Tension: 44.4 dyne/cm
Density: 1.19 g/cm3
Flash Point: 89.4 °C
Enthalpy of Vaporization: 46.06 kJ/mol
Boiling Point: 224.1 °C at 760 mmHg
Vapour Pressure: 0.0927 mmHg at 25°C
The Cas Register Number of Thiocyanatoacetic acid ethyl ester is 5349-28-0 .The chemical synonyms of Thiocyanatoacetic acid ethyl ester (CAS No.5349-28-0) are Ethyl 2-thiocyanatoacetate ; Ethylthiocyanatoacetate ; Ethylthiocyanoacetate ; Ree(acetate) ; Thiocyanatoaceticacidethylester ; Thiocyanato-aceticaciethylester ; Sassen ; Ethylrhodanacetate .The molecular structure of Thiocyanatoacetic acid ethyl ester (CAS No.5349-28-0) is
.
Toxicity Data With Reference
| 1. | ipr-rat LDLo:20 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 16 (1966),870. | ||
| 2. | orl-mus LD50:52 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 3 (1954),99. | ||
| 3. | ipr-mus LD50:18,300 µg/kg | JJPAAZ Japanese Journal of Pharmacology. 3 (1954),99. | ||
| 4. | scu-mus LD50:39,100 µg/kg | JJPAAZ Japanese Journal of Pharmacology. 3 (1954),99. | ||
| 5. | ivn-mus LD50:6 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 3 (1954),99. | ||
| 6. | scu-rbt LD50:10 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 3 (1954),99. | ||
| 7. | ims-pgn LD50:20 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 3 (1954),99. |
Safety Profile
Poison by ingestion, intramuscular, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx, CN−, and NOx. See also ESTERS and THIOCYANATES.
Specification
The extinguishing agent of Thiocyanatoacetic acid ethyl ester (CAS No.5349-28-0) are dry powder, foam, sand, carbon dioxide, water mist.