IUPAC Name: 1-(4-Chlorophenyl)pentan-1-one
Molecular Formula: C11H13ClO
Molecular Weight: 196.68 g/mol
Canonical SMILES: C(c1ccc(cc1)Cl)(=O)CCCC
InChI: InChI=1/C11H13ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
EINECS: 246-566-4
Product Categories: Acetophenone Series
XLogP3-AA: 3.6
H-Bond Acceptor: 1
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 196.065493
MonoIsotopic Mass: 196.065493
Topological Polar Surface Area: 17.1
Heavy Atom Count: 13
Complexity: 160
Index of Refraction: 1.515
Molar Refractivity: 55.07 cm3
Molar Volume: 182.4 cm3
Polarizability: 21.83×10-24cm3
Surface Tension: 36.2 dyne/cm
Density: 1.078 g/cm3
Flash Point: 155.8 °C
Enthalpy of Vaporization: 52.68 kJ/mol
Boiling Point: 287.6 °C at 760 mmHg
Melting Point: 29-33 °C
Vapour Pressure of 4-Chlorovalerophenone (CAS NO.25017-08-7): 0.00245 mmHg at 25 °C
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements of 4-Chlorovalerophenone (CAS NO.25017-08-7): 37/39-26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: Wear suitable gloves and eye/face protection.
4-Chlorovalerophenone (CAS NO.25017-08-7), its Synonyms are 4'-Chlorovalerophenone ; P-Chlorovalerophenone ; 1-(4-Chlorophenyl)pentan-1-one ; 1-Pentanone, 1-(4-chlorophenyl)- ; 1-(4-Chlorophenyl)pentane-1-one . It is white to yellow crystalline low melting solid.
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