Molecule structure of 1-[4-(Difluoromethoxy)phenyl]ethanone (CAS NO.83882-67-1):
IUPAC Name: 1-[4-(Difluoromethoxy)phenyl]ethanone
Molecular Weight: 186.155426 [g/mol]
Molecular Formula: C9H8F2O2
Index of Refraction: 1.465
Molar Refractivity: 43.24 cm3
Molar Volume: 156.2 cm3
Surface Tension: 29.9 dyne/cm
Density: 1.191 g/cm3
Melting Point: 18-19°C
Flash Point: 103.2 °C
Enthalpy of Vaporization: 48.94 kJ/mol
Boiling Point: 252.1 °C at 760 mmHg
Vapour Pressure: 0.0197 mmHg at 25 °C
XLogP3: 2.7
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 186.049236
MonoIsotopic Mass: 186.049236
Topological Polar Surface Area: 26.3
Heavy Atom Count: 13
Complexity: 175
Canonical SMILES: CC(=O)C1=CC=C(C=C1)OC(F)F
InChI: InChI=1S/C9H8F2O2/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-5,9H,1H3
InChIKey: GIGWRVLNOYPOIT-UHFFFAOYSA-N
EINECS of 1-[4-(Difluoromethoxy)phenyl]ethanone (CAS NO.83882-67-1): 281-174-7
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Hazard Note: Irritant
1-[4-(Difluoromethoxy)phenyl]ethanone (CAS NO.83882-67-1) is also named as 1-(4-(Difluoromethoxy)phenyl)ethan-1-one ; 4-(Difluoromethoxy)phenylmethyl ketone ; 4-Acetylphenyl difluoromethyl ether ; 4-Difluoromethoxyacetophenone ; 4'-(Difluoromethoxy)acetophenone ; Ethanone,1-[4-(difluoromethoxy)phenyl]- .
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