Ethyl Isothiocyanatoacetate , >98.0%(GC) , 24066-82-8

CAS NO.：24066-82-8

Empirical Formula: C5H7NO2S

Molecular Weight: 145.18

MDL number: MFCD00060677

EINECS: 417-720-1

PRODUCT 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.)
• Flash point: 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)

Description and 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

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332-H315-H319-H335
• Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
• 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
• HazardClass: IRRITANT-HARMFUL
• PackingGroup: III
• HS Code: 29309090
• 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.
• Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
• Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)