4-(Trifluoromethoxy)phenyl isothiocyanate , 97% , 64285-95-6

CAS NO.：64285-95-6

Empirical Formula: C8H4F3NOS

Molecular Weight: 219.18

MDL number: MFCD00042412

EINECS: 628-314-9

PRODUCT Properties

• Boiling point: 215-218 °C(lit.)
• Density: 1.35 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.541(lit.)
• Flash point: 225 °F
• storage temp.: 2-8°C
• form: Liquid
• color: Colorless
• Sensitive: Moisture Sensitive
• λmax: 348nm(DMF)(lit.)
• InChI: InChI=1S/C8H4F3NOS/c9-8(10,11)13-7-3-1-6(2-4-7)12-5-14/h1-4H
• InChIKey: JKSZUQPHKOPVHF-UHFFFAOYSA-N
• SMILES: C1(N=C=S)=CC=C(OC(F)(F)F)C=C1
• CAS DataBase Reference: 64285-95-6(CAS DataBase Reference)

Description and Uses

4-(Trifluoromethoxy)phenyl Isothiocyanate is used as a reagent in the synthesis of thiourea and thioether derivatives of Sorafenib (S676850) which can exhibit antiproliferative, anticancer, anticonvulsant, and anti-angiogenesis activities.

Safety

• Symbol(GHS): GHS05
• Signal word: Danger
• Hazard statements: H318-H314
• Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310
• Hazard Codes: C,Xi
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45-60-23-20
• RIDADR: UN 1760 8/PG 2
• WGK Germany: 3
• Hazard Note: Irritant
• HazardClass: 8
• PackingGroup: II
• HS Code: 29309090
• Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)