468517

3,5-Bis(trifluoromethyl)phenyl isothiocyanate

98%

• Synonym(s): 1-Isothiocyanato-3,5-bis(trifluoromethyl)benzene
• Linear Formula: (CF₃)₂C₆H₃NCS
• CAS Number: 23165-29-9
• Molecular Weight: 271.18
• NACRES: NA.22
• PubChem Substance ID: 24870523
• UNSPSC Code: 12352100
• MDL number: MFCD00040838
• Assay: 98%

Properties

• Quality Segment: 100
• assay: 98%
• refractive index: n20/D 1.5 (lit.)
• bp: 63 °C/1.5 mmHg (lit.)
• density: 1.485 g/mL at 25 °C (lit.)
• functional group: fluoro, isothiocyanate
• SMILES string: FC(F)(F)c1cc(cc(c1)C(F)(F)F)N=C=S
• InChI: 1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
• InChI key: FXOSSGVJGGNASE-UHFFFAOYSA-N

Description

Application

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 Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Codes: H301,H315,H319,H335
• Precautionary Statements: P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point (°F): 228.2 °F - closed cup
• Flash Point (°C): 109 °C - closed cup
• PPE (personal protective equipment): Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter