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: C9H7F3O
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
Hazard Codes: Xi, F
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
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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