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3,3-Dichloro-1-(4-iodophenyl)piperidin-2-one

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Name

3,3-Dichloro-1-(4-iodophenyl)piperidin-2-one

EINECS N/A
CAS No. 545445-10-1 Density 1.848 g/cm3
PSA 20.31000 LogP 3.65690
Solubility N/A Melting Point N/A
Formula C11H10Cl2INO Boiling Point 488.778 °C at 760 mmHg
Molecular Weight 370.017 Flash Point 249.404 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 545445-10-1 (3,3-Dichloro-1-(4-iodophenyl)piperidin-2-one) Hazard Symbols N/A
Synonyms

3,3-Dichloro-1-(4-iodophenyl)-2-piperidinone;

Article Data 7

3,3-Dichloro-1-(4-iodophenyl)piperidin-2-one Specification

The systematic name of 3,3-Dichloro-1-(4-iodophenyl)piperidin-2-one is 3,3-dichloro-1-(4-iodophenyl)piperidin-2-one. With the CAS registry number 545445-10-1, it is also named as 3,3-Dichloro-1-(4-iodophenyl)-2-piperidinone. The product is API Intermediates. In addition, its molecular formula is C11H10Cl2INO and molecular weight is 370.0137.

The other characteristics of 3,3-Dichloro-1-(4-iodophenyl)piperidin-2-one can be summarized as: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 122; (6)ACD/BCF (pH 7.4): 122; (7)ACD/KOC (pH 5.5): 1083; (8)ACD/KOC (pH 7.4): 1083; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 74.457 cm3; (15)Molar Volume: 200.168 cm3; (16)Polarizability: 29.517×10-24cm3; (17)Surface Tension: 58.696 dyne/cm; (18)Density: 1.848 g/cm3; (19)Flash Point: 249.404 °C; (20)Enthalpy of Vaporization: 75.496 kJ/mol; (21)Boiling Point: 488.778 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Ic1ccc(cc1)N2CCCC(Cl)(Cl)C2=O
(2)InChI:InChI=1/C11H10Cl2INO/c12-11(13)6-1-7-15(10(11)16)9-4-2-8(14)3-5-9/h2-5H,1,6-7H2
(3)InChIKey:JVLADMOFJQGIIN-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C11H10Cl2INO/c12-11(13)6-1-7-15(10(11)16)9-4-2-8(14)3-5-9/h2-5H,1,6-7H2
(5)Std. InChIKey:JVLADMOFJQGIIN-UHFFFAOYSA-N

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