224944

4-(Trifluoromethyl)benzaldehyde

98%

• Synonym(s): α,α,α-Trifluoro-p-tolualdehyde
• Linear Formula: CF₃C₆H₄CHO
• CAS Number: 455-19-6
• Molecular Weight: 174.12
• Beilstein/REAXYS Number: 1101680
• EC Number: 207-240-7
• MDL number: MFCD00006952
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853466
• NACRES: NA.22

Properties

• assay: 98%
• form: liquid
• refractive index: n20/D 1.463 (lit.)
• bp: 66-67 °C/13 mmHg (lit.)
• density: 1.275 g/mL at 25 °C (lit.)
• SMILES string: [H]C(=O)c1ccc(cc1)C(F)(F)F
• InChI: 1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H
• InChI key: BEOBZEOPTQQELP-UHFFFAOYSA-N

Description

Application

• Correlation data of (Z)-1-thiosemicarbazide via spectroscopic methods and Density Functional Theory studies: Synthesis of (Z)-1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide using 4-(trifluoromethyl)benzaldehyde in ethanol (UM Osman et al., 2019).


• Transition-Metal-Free Trifluoromethylation of Aldehyde Derivatives with Sodium Trifluoromethanesulfinate: Investigates the direct C-H trifluoromethylation of benzaldehyde and other synthetic equivalents (Z Tan et al., 2017).

Other Notes

May form precipitate upon standing which does not affect use. Warm gently to redissolve solid.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H315,H319
• pcodes: P264 - P270 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 149.0 °F - closed cup
• flash_point_c: 65 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter