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: 2023-12-28 11:30:52
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.
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) |
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 |
New Products
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4-(TRIFLUOROMETHYL)BENZOPHENONE
2-FLUORO-4-(TRIFLUOROMETHYL)BENZOPHENONE,2-Fluoro-4-(trifluoromethyl)benzophenone97%,2-Fluoro-4-(trifluoromethyl)benzophenone 97%
3-THIOMORPHOLINOMETHYL-4'-TRIFLUOROMETHYLBENZOPHENONE
4-PYRROLIDINOMETHYL-4'-TRIFLUOROMETHYLBENZOPHENONE
2-(4-METHYLPIPERAZINOMETHYL)-4'-TRIFLUOROMETHYLBENZOPHENONE
2-AZETIDINOMETHYL-4'-TRIFLUOROMETHYLBENZOPHENONE
4-(4-METHYLPIPERAZINOMETHYL)-4'-TRIFLUOROMETHYLBENZOPHENONE
3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4'-TRIFLUOROBENZOPHENONE
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