3,5-Bis(trifluoromethyl)phenyl isothiocyanate , >98.0%(GC) , 23165-29-9

CAS NO.：23165-29-9

Empirical Formula: C9H3F6NS

Molecular Weight: 271.18

MDL number: MFCD00040838

EINECS: 629-347-1

PRODUCT Properties

• Melting point: 160℃
• Boiling point: 63 °C1.5 mm Hg(lit.)
• Density: 1.485 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.5(lit.)
• Flash point: 228 °F
• storage temp.: Storage temp. 2-8°C
• form: Liquid
• color: Clear yellow
• Specific Gravity: 1.485
• Water Solubility: Hydrolyzes in water.
• Sensitive: Moisture Sensitive
• BRN: 2990816
• InChI: InChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
• InChIKey: FXOSSGVJGGNASE-UHFFFAOYSA-N
• SMILES: C1(N=C=S)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
• CAS DataBase Reference: 23165-29-9(CAS DataBase Reference)

Description and Uses

3,5-Bis(trifluoromethyl)phenyl isothiocyanate has been employed for the following studies:

• Chemical derivatization of amino-functionalized model surfaces, amino thiolate on Au, amino siloxane on Si, and polyethylene (PE) foils and films.
• Chemical derivatization of self assembled monolayers of ω-amino-4,4′-terphenyl substituted alkanethiols.
• Synthesis of ethylene-linked sulfonimidoyl-containing thioureas.
• Preparation of pyrrolidine-2-carboxylic acid-{2-[3-(3,5-bistrifluoromethylphenyl)thioureido]phenyl}-amide.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H301-H315-H319-H335
• Precautionary statements: P301+P310+P330-P302+P352-P305+P351+P338
• Hazard Codes: C,T,Xi
• Risk Statements: 34
• Safety Statements: 22-26-27-36/37/39-45
• RIDADR: 2810
• WGK Germany: 3
• Hazard Note: Toxic
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29309090
• Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)