IUPAC Name: 1-(2,4-Dichlorophenyl)pentan-1-one
Molecular Formula: C11H12Cl2O
Molecular Weight: 231.12 g/mol
Canonical SMILES: CCCCC(=O)C1=C(C=C(C=C1)Cl)Cl
InChI: InChI=1S/C11H12Cl2O/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h5-7H,2-4H2,1H3
Mol File: 61023-66-3.mol
Product Categories: Ketones
XLogP3-AA: 4.2
H-Bond Acceptor: 1
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 230.02652
MonoIsotopic Mass: 230.02652
Topological Polar Surface Area: 17.1
Heavy Atom Count: 14
Complexity: 194
Index of Refraction: 1.529
Molar Refractivity: 59.97 cm3
Molar Volume: 194.386 cm3
Polarizability: 23.774×10-24cm3
Surface Tension: 38.291 dyne/cm
Density: 1.189 g/cm3
Flash Point: 124.427 °C
Enthalpy of Vaporization: 53.712 kJ/mol
Boiling Point: 297.278 °C at 760 mmHg
Vapour Pressure of 2',4'-Dichloropentanophenone
(CAS NO.61023-66-3): 0.001 mmHg at 25 °C
Hazard Codes of 2',4'-Dichloropentanophenone (CAS NO.61023-66-3): Xi
2',4'-Dichloropentanophenone (CAS NO.61023-66-3), its Synonyms are 2',4'-Dichlorovalerophenone ; 1-(2,4-
dichlorophenyl)pentan-1-one ; 2,4-dichlorophenyl-1-petanone .
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