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728-86-9 Structure

728-86-9 Structure
IdentificationMore
[Name]

4-(TRIFLUOROMETHYL)BENZOPHENONE
[CAS]

728-86-9
[Synonyms]

4-(TRIFLUOROMETHYL)BENZOPHENONE
PHENYL[4-(TRIFLUOROMETHYL)PHENYL]METHANONE
P-TRIFLUOROMETHYL BENZOPHENONE
Methanone, phenyl[4-(trifluoromethyl)phenyl]-
4-(TRIFLUOROMETHYL)BENZOPHENONE 97%
4-(Trifluoromethyl)benzophenone97%
4-(Trifluoromethyl)benzophenone, 98+%
Phenyl[4-(trifluoromethyl)phenyl] ketone
[EINECS(EC#)]

211-974-3
[Molecular Formula]

C14H9F3O
[MDL Number]

MFCD00000400
[Molecular Weight]

250.22
[MOL File]

728-86-9.mol
Chemical PropertiesBack Directory
[Appearance]

OFF-WHITE TO BEIGE CRYSTALLINE SOLID
[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
[InChIKey]

OHTYZZYAMUVKQS-UHFFFAOYSA-N
[SMILES]

C(C1=CC=CC=C1)(C1=CC=C(C(F)(F)F)C=C1)=O
[CAS DataBase Reference]

728-86-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29147000
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

4-(TRIFLUOROMETHYL)BENZOPHENONE(728-86-9)MS
4-(TRIFLUOROMETHYL)BENZOPHENONE(728-86-9)1HNMR
4-(TRIFLUOROMETHYL)BENZOPHENONE(728-86-9)13CNMR
4-(TRIFLUOROMETHYL)BENZOPHENONE(728-86-9)IR1
4-(TRIFLUOROMETHYL)BENZOPHENONE(728-86-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-(Trifluoromethyl)benzophenone, 97%(728-86-9)
[Alfa Aesar]

4-(Trifluoromethyl)benzophenone, 98%(728-86-9)
[Sigma Aldrich]

728-86-9(sigmaaldrich)
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