Ethoxycarbonyl isothiocyanate , 98% , 16182-04-0

Synonym(s):
Ethyl isothiocyanatoformate

CAS NO.：16182-04-0

Empirical Formula: C4H5NO2S

Molecular Weight: 131.15

MDL number: MFCD00004814

EINECS: 240-318-9

PRODUCT Properties

• Boiling point: 56 °C18 mm Hg(lit.)
• Density: 1.112 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.500(lit.)
• Flash point: 123 °F
• storage temp.: 2-8°C
• solubility: Soluble in chloroform and ether.
• form: Oil
• color: Light Yellow
• Specific Gravity: 1.112
• Sensitive: Moisture Sensitive/Lachrymatory
• BRN: 606091
• InChI: InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3
• InChIKey: BDTDECDAHYOJRO-UHFFFAOYSA-N
• SMILES: C(N=C=S)(=O)OCC
• CAS DataBase Reference: 16182-04-0(CAS DataBase Reference)

Description and Uses

Ethoxycarbonyl isothiocyanate has been used in the synthesis of:

• pyrazolo[1,5-a][1,3,5]triazine derivatives, potential inhibitors of protein kinase CK2
• fused thiophene derivatives, having antibacterial and antifungal activities
• 4-thiouracil derivatives
• thiocarbamides from stannylarenes
• 1,3,5-triazin-2-one-4-thiones from 2-amino-2-oxazolines
• N-acylthioureas from aminodeoxy sugars

Safety

• Symbol(GHS): GHS02,GHS06,GHS08
• Signal word: Danger
• Hazard statements: H226-H315-H317-H319-H331-H334-H335
• Precautionary statements: P210-P280-P302+P352-P304+P340+P311-P305+P351+P338
• Hazard Codes: T,Xi
• Risk Statements: 23-36/37/38-42
• Safety Statements: 23-26-36/37/39-45
• RIDADR: UN 2929 6.1/PG 2
• WGK Germany: 3
• F: 9-13-19-21
• HazardClass: 3
• PackingGroup: III
• HS Code: 29309090
• Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
• Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)