250821

4-(Trifluoromethyl)phenyl isocyanate

99%

• Synonym(s): α,α,α-Trifluoro-p-tolyl isocyanate
• Linear Formula: CF₃C₆H₄NCO
• CAS Number: 1548-13-6
• Molecular Weight: 187.12
• Beilstein/REAXYS Number: 881041
• EC Number: 216-284-6
• MDL number: MFCD00002028
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855075
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• form: liquid
• refractive index: n20/D 1.474 (lit.)
• bp: 58-59 °C/10 mmHg (lit.)
• density: 1.31 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: FC(F)(F)c1ccc(cc1)N=C=O
• InChI: 1S/C8H4F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H
• InChI key: QZTWVDCKDWZCLV-UHFFFAOYSA-N

Description

Application

4-(Trifluoromethyl)phenyl isocyanate has been used in the synthesis of:

• fluorescent photoinduced electron transfer (PET) chemosensors
• 2-ethyl-6-[(4-trifluoromethylphenylcarbamoyl)hydrazino]-benzo[de]iso-quinoline-1,3-dione, an amidourea-based sensor for anions
• 1,8-naphthalimide based colorimetric and fluorescent sensor for anions

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H315,H317,H319,H334,H335
• pcodes: 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: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 156.2 °F - closed cup
• flash_point_c: 69 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter