Name | 4-(Trifluoromethoxy)benzaldehyde |
Synonyms | VHR DOXFFF α,α,α-trifluoroanisaldehyde 4-Trifluoromethoxybenzaldehyde 4-Trifluoromethoxy Benzaldehyde On trifluoroMethoxy benzaldehyde 4-(Trifluoromethoxy)benzaldehyde 4-(TRIFLUOROMETHOXY)-BENZALDEHYDE 4-(Trifluoromethoxy) benzaldehyde For trifluoromethoxy benzaldehyde Benzaldehyde, 4-(trifluoromethoxy)- 4-(Trifluormethoxy)benzolcarbaldehyd 4-(TRIFLUOROMETHOXY)BENZALDEHYDE FOR SYN |
CAS | 659-28-9 |
EINECS | 211-531-4 |
InChI | InChI=1/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H |
InChIKey | XQNVDQZWOBPLQZ-UHFFFAOYSA-N |
Molecular Formula | C8H5F3O2 |
Molar Mass | 190.12 |
Density | 1.331g/mLat 25°C(lit.) |
Boling Point | 93°C27mm Hg(lit.) |
Flash Point | 159°F |
Vapor Presure | 0.438mmHg at 25°C |
Appearance | Liquid |
Specific Gravity | 1.331 |
Color | Clear colorless to pale yellow-green |
BRN | 1949135 |
Storage Condition | Inert atmosphere,2-8°C |
Sensitive | Air Sensitive |
Refractive Index | n20/D 1.458(lit.) |
MDL | MFCD00041530 |
Physical and Chemical Properties | Flash point: 70 |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R36/38 - Irritating to eyes and skin. R22 - Harmful if swallowed |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S37/39 - Wear suitable gloves and eye/face protection |
WGK Germany | 3 |
HS Code | 29130000 |
Hazard Class | IRRITANT |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
Application | p-trifluoromethoxy benzaldehyde is a pharmaceutical intermediate, which can be prepared from 4-trifluoromethoxy bromobenzene and carbon monoxide in one step. It has been reported in the literature to be useful in the preparation of compounds for the treatment of tuberculosis. |
preparation | in a flask with a reflux condenser and an intake tube, add 3.62g of 4-trifluoromethoxybromobenzene, 0.21g of BIS (triphenylphosphine) Palladium dichloride and 1.53g of sodium formate were mixed with 15 ml of DMF, stirred and heated to 110 °c with CO. After completion of the reaction (GC), the reaction mixture was cooled to 21 °c and separated from the catalyst by silica gel filtration. The crude product obtained contained 91% of p-trifluoromethoxybenzaldehyde and 7% of 4-trifluoromethoxybenzyl alcohol (percentages based on area ratio in GC). |