472220

4-Fluoro-3-(trifluoromethyl)phenyl isocyanate

97%

• Linear Formula: FC₆H₃(CF₃)NCO
• CAS Number: 139057-86-6
• Molecular Weight: 205.11
• MDL number: MFCD00673072
• UNSPSC Code: 12352100
• PubChem Substance ID: 24870790

Properties

• Assay: 97%
• refractive index: n20/D 1.461 (lit.)
• bp: 48 °C/1 mmHg (lit.)
• density: 1.44 g/mL at 25 °C (lit.)
• SMILES string: Fc1ccc(cc1C(F)(F)F)N=C=O
• InChI: 1S/C8H3F4NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
• InChI key: OPPYFFRLKJUEOS-UHFFFAOYSA-N

Description

Application

4-Fluoro-3-(trifluoromethyl)phenyl isocyanate may be used in the synthesis of the following:

• pyrazine and pyrimidine analogs of biarylamines
• N-[trans-5-(3-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N′-[4- fluoro-3-(trifluoromethyl)phenyl]-N-[2-(3(R)-hydroxy-1-pyrrolidinyl]ethyl]urea
• N-[trans-5-(3-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N′-[4- fluoro-3-(trifluoromethyl)phenyl]-N-[2-(4-methyl-1-piperazinyl)- ethyl]urea

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H312 + H332,H315,H317,H319,H334,H335
• Precautionary Statements: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 176.0 °F - closed cup
• Flash Point(C): 80 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves