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59756-57-9

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Basic Information
CAS No.: 59756-57-9
Name: 1-Phenyl-3-[3-(trifluoromethyl)phenyl]acetone
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 59756-57-9 (1-Phenyl-3-[3-(trifluoromethyl)phenyl]acetone)
Formula: C16H13 F3 O
Molecular Weight: 278.274
Synonyms: 1-Phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
EINECS: 261-915-0
Density: 1.209 g/cm3
Melting Point: 140-145 ºC (4mmHg)
Boiling Point: 326 ºC at 760 mmHg
Flash Point: 179.9 ºC
Appearance: Pale yellow liquid
PSA: 17.07000
LogP: 4.05970
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Chemistry

Molecular Structure of 1-Phenyl-3-[3-(trifluoromethyl)phenyl]acetone (CAS NO.59756-57-9):

IUPAC Name: 1-Phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one 
Molecular Formula: C16H13F3O
Molecular Weight: 278.27
EINECS: 261-915-0 
Index of Refraction: 1.519
Molar Refractivity: 69.93 cm3
Molar Volume: 230 cm3
Surface Tension: 34.6 dyne/cm
Density: 1.209 g/cm3
Flash Point: 179.9 °C 
Melting Point: 140-145 °C (4mmHg)
Enthalpy of Vaporization: 56.81 kJ/mol
Boiling Point: 326 °C at 760 mmHg
Vapour Pressure: 0.000223 mmHg at 25 °C 
Appearance: Pale yellow liquid
Canonical SMILES: C1=CC=C(C=C1)CC(=O)CC2=CC(=CC=C2)C(F)(F)F
InChI: InChI=1S/C16H13F3O/c17-16(18,19)14-8-4-7-13(9-14)11-15(20)10-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKey: MHBVFQPMQKODRK-UHFFFAOYSA-N

Specification

 1-Phenyl-3-[3-(trifluoromethyl)phenyl]acetone (CAS NO.59756-57-9), its Synonyms are 1-Phenyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-2-propanone ; 2-Propanone, 1-phenyl-3-(3-(trifluoromethyl)phenyl)- ; 1-Phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one .