4-(Trifluoromethyl)benzyl alcohol
- CAS NO.：349-95-1
- Empirical Formula: C8H7F3O
- Molecular Weight: 176.14
- MDL number: MFCD00004661
- EINECS: 206-494-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-01-25 16:49:20
What is 4-(Trifluoromethyl)benzyl alcohol?
Chemical properties
Colorless to light yellow liqui
The Uses of 4-(Trifluoromethyl)benzyl alcohol
4-(Trifluoromethyl)benzyl alcohol, is used as a pharmaceutical intermediate, it is also used to predict the NMR spectrum. 4-(Trifluoromethyl)benzyl alcohol is employed as a reagent in, for example, kinetic studies of phosphonoformate prodrugs and aquachromium(IV).
Definition
ChEBI: 4-(trifluoromethyl)benzyl alcohol is an aromatic primary alcohol. It is functionally related to a benzyl alcohol.
Synthesis Reference(s)
Tetrahedron Letters, 29, p. 4057, 1988 DOI: 10.1016/S0040-4039(00)80416-5
General Description
Photocatalytic oxidation of 4-(trifluoromethyl)benzyl alcohol to corresponding aldehydes on TiO2 photocatalyst under O2 atmosphere has been reported.
Properties of 4-(Trifluoromethyl)benzyl alcohol
| Melting point: | 22-25 °C |
| Boiling point: | 78-80 °C/4 mmHg (lit.) |
| Density | 1.286 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 213 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | Liquid After Melting |
| pka | 13.91±0.10(Predicted) |
| Specific Gravity | 1.286 |
| color | Clear colorless to light brown |
| Water Solubility | Soluble in water. |
| BRN | 1450174 |
| InChI | InChI=1S/C8H7F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2 |
| CAS DataBase Reference | 349-95-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-(Trifluoromethyl)benzyl alcohol(349-95-1) |
Safety information for 4-(Trifluoromethyl)benzyl alcohol
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 4-(Trifluoromethyl)benzyl alcohol
| InChIKey | MOOUWXDQAUXZRG-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC=C(C(F)(F)F)C=C1 |
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product: 349-95-1 4-(Trifluoromethyl)-benzyl alcohol 98%
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