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| | ETHYL ISOTHIOCYANATOACETATE Basic information |
| | ETHYL ISOTHIOCYANATOACETATE Chemical Properties |
| Boiling point | 104-106 °C/7 mmHg (lit.) | | density | 1.171 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.502(lit.) | | Fp | 228 °F | | storage temp. | 2-8°C | | form | clear liquid | | color | Colorless to Red to Green | | Specific Gravity | 1.171 | | InChI | InChI=1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3 | | InChIKey | IYPSSPPKMLXXRN-UHFFFAOYSA-N | | SMILES | C(OCC)(=O)CN=C=S | | CAS DataBase Reference | 24066-82-8(CAS DataBase Reference) | | EPA Substance Registry System | Acetic acid, isothiocyanato-, ethyl ester (24066-82-8) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-36/37/39 | | RIDADR | UN 2810 6.1/PG 2 | | WGK Germany | 3 | | RTECS | AI5020000 | | TSCA | TSCA listed | | HazardClass | IRRITANT-HARMFUL | | PackingGroup | III | | HS Code | 29309090 | | Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | | Toxicity | rat,LDLo,subcutaneous,350mg/kg (350mg/kg),PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSIONBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Archives Internationales de Pharmacodynamie et de Therapie. Vol. 35, Pg. 314, 1929. |
| | ETHYL ISOTHIOCYANATOACETATE Usage And Synthesis |
| Uses | Ethyl isothiocyanatoacetate has been used in the synthesis of:
- fused pyrimidines
- ethyl (3-substituted 5-thioxo-1,2,4-triazolin-4-yl)acetates via addition-cyclization reaction with carboxylic acid hydrazides in the presence of sodium ethoxide
- 3-O-amino-2-thiohydantoins
- quinazoline, benzothienopyrimidine and benzofuropyrimidine
- thiazolo[5,4-d]thiazole
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| | ETHYL ISOTHIOCYANATOACETATE Preparation Products And Raw materials |
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