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HomeProduct name list4-(Trifluoromethyl)benzyl alcohol

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
4-(Trifluoromethyl)benzyl alcohol Structural

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  n20/D 1.459(lit.)
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)
ghs
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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