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HomeProduct name list4-(Trifluoromethyl)benzophenone

4-(Trifluoromethyl)benzophenone

  • CAS NO.:728-86-9
  • Empirical Formula: C14H9F3O
  • Molecular Weight: 250.22
  • MDL number: MFCD00000400
  • EINECS: 211-974-3
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-07 21:39:59
4-(Trifluoromethyl)benzophenone Structural

What is 4-(Trifluoromethyl)benzophenone?

Chemical properties

OFF-WHITE TO BEIGE CRYSTALLINE SOLID

Synthesis

A solution of diphenylmethanol (1 mmol), NBS (1.3equiv.), KOAc (1.5 equiv.) H2O (1.5 mL), and CH2Cl2 (0.5mL) was magnetically stirred in 25 mL flask at room temperaturefor 10 h. The reaction mixture was added into water(10 mL), and extracted with EtOAc (3 × 10 mL). The combinedEtOAc extracts were dried over anhydrous MgSO4,filtrated, and then the solvent was removed under reducedpressure. The residue was purified by the flash columnchromatography on silica gel with PE or PE/EtOAc as theeluent to obtain the desired product 4-(Trifluoromethyl)benzophenone.
4-(TRIFLUOROMETHYL)BENZOPHENONE

Properties of 4-(Trifluoromethyl)benzophenone

Melting point: 114-116 °C(lit.)
Boiling point: 309.2±42.0 °C(Predicted)
Density  1.2778 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  Crystalline Solid
color  Off-white to beige
BRN  1879572
InChI InChI=1S/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H
CAS DataBase Reference 728-86-9(CAS DataBase Reference)

Safety information for 4-(Trifluoromethyl)benzophenone

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 P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 4-(Trifluoromethyl)benzophenone

InChIKey OHTYZZYAMUVKQS-UHFFFAOYSA-N
SMILES C(C1=CC=CC=C1)(C1=CC=C(C(F)(F)F)C=C1)=O

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