476099

4-(Trifluoromethyl)phenyl isothiocyanate

97%

• Synonym(s): 1-Isothiocyanato-4-(trifluoromethyl)benzene, 1-Isothiocyanato-4-trifluoromethylbenzene, p-Trifluoromethylphenyl isothiocyanate
• Linear Formula: CF₃C₆H₄NCS
• CAS Number: 1645-65-4
• Molecular Weight: 203.18
• MDL number: MFCD00039645
• UNSPSC Code: 12352100
• PubChem Substance ID: 24871206
• NACRES: NA.22

Properties

• Assay: 97%
• form: solid
• bp: 81 °C/11 mmHg (lit.)
• mp: 39-43 °C (lit.)
• functional group: fluoro; isothiocyanate
• SMILES string: FC(F)(F)c1ccc(cc1)N=C=S
• InChI: 1S/C8H4F3NS/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H
• InChI key: DQEVDFQAYLIBRD-UHFFFAOYSA-N

Description

General description

4-(Trifluoromethyl)phenyl isothiocyanate, also referred as p-trifluoromethylphenylisothiocyanate, is an isothiocyanate derivative.

Application

4-(Trifluoromethyl)phenyl isothiocyanate may be used in the synthesis of 6-[1-amino-3-(4-trifluoromethylphenyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione. It may also be used in the synthesis of photoinduced electron transfer (PET) sensors.

Safety Information

• Pictograms: GHS08,GHS05
• Signal Word: Danger
• Hazard Statements: H314,H334
• Precautionary Statements: P260 - P280 - P284 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Resp. Sens. 1 - Skin Corr. 1B
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves