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4'-(Trifluoromethyl)acetophenone

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Name

4'-(Trifluoromethyl)acetophenone

EINECS 211-913-0
CAS No. 709-63-7 Density 1.218 g/cm3
PSA 17.07000 LogP 2.90800
Solubility N/A Melting Point 30-33 °C(lit.)
Formula C9H7F3O Boiling Point 204.9 °C at 760 mmHg
Molecular Weight 188.149 Flash Point 84.4 °C
Transport Information N/A Appearance White to faintly yellow low melting solid
Safety 26-36-37/39-16 Risk Codes 36/37/38-11
Molecular Structure Molecular Structure of 709-63-7 (4'-(Trifluoromethyl)acetophenone) Hazard Symbols FlammableF,IrritantXi
Synonyms

Acetophenone,4'-(trifluoromethyl)- (6CI,7CI,8CI);(4-Trifluoromethylphenyl) methyl ketone;1-(4-Trifluoromethylphenyl)ethanone;1-Acetyl-4-(trifluoromethyl)benzene;1-[4-(Trifluoromethyl)phenyl]-1-ethanone;NSC 88346;p-(Trifluoromethyl)acetophenone;

Article Data 214

4'-(Trifluoromethyl)acetophenone Chemical Properties

Molecule structure of Ethanone,1-[4-(trifluoromethyl)phenyl]- (CAS NO.709-63-7):

IUPAC Name: 1-[4-(Trifluoromethyl)phenyl]ethanone 
Molecular Weight: 188.14649 g/mol
Molecular Formula: C9H7F3
Density: 1.218 g/cm3 
Melting Point: 30-33 °C(lit.)
Boiling Point: 204.9 °C at 760 mmHg 
Flash Point: 84.4 °C
Index of Refraction: 1.446
Molar Refractivity: 41.26 cm3
Molar Volume: 154.4 cm3
Polarizability: 16.35×10-24 cm3
Surface Tension: 26.2 dyne/cm 
Enthalpy of Vaporization: 44.12 kJ/mol
Vapour Pressure: 0.257 mmHg at 25 °C 
Storage Temp.: flammables area
XLogP3: 2.6
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 188.044899
MonoIsotopic Mass: 188.044899
Topological Polar Surface Area: 17.1
Heavy Atom Count: 13
Canonical SMILES: CC(=O)C1=CC=C(C=C1)C(F)(F)F
InChI: InChI=1S/C9H7F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3
InChIKey: HHAISVSEJFEWBZ-UHFFFAOYSA-N
EINECS: 211-913-0
Product Categories: Trifluoromethylbenzene serise; Aromatic Acetophenones & Derivatives (substituted); ketone

4'-(Trifluoromethyl)acetophenone Safety Profile

Hazard Codes: IrritantXi, FlammableF
Risk Statements: 36/37/38-11 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R11:Highly flammable.
Safety Statements: 26-36-37/39-16 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection. 
S16:Keep away from sources of ignition.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
HS Code: 29147090

4'-(Trifluoromethyl)acetophenone Specification

 Ethanone,1-[4-(trifluoromethyl)phenyl]- (CAS NO.709-63-7) is also named as 1-(4-(Trifluoromethyl)phenyl)ethan-1-one ; 1-[4-(Trifluormethyl)phenyl]ethanon ; 1-[4-(Trifluoromethyl)phenyl]ethanone ; ethanone, 1-[4-(trifluoromethyl)phenyl]- ; p-Trifluoromethylacetophenone ; 1-[4-(trifluoromethyl)phenyl]ethan-1-one ; 4'-(Trifluoromethyl)acetophenone ; 4'-(Trifluoromethyl)acetophenone 98% . Ethanone,1-[4-(trifluoromethyl)phenyl]- (CAS NO.709-63-7) is white to faintly yellow low melting solid.

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